Temozolomide supplier | CasNO.85622-93-1

Name
Temozolomide
EINECS 630-358-9
CAS No. 85622-93-1
Article Data33
CAS DataBase
Density 1.97 g/cm³
Solubility
Melting Point 212 °C dec.
Formula C₆H₆N₆O₂
Boiling Point 526.6 °C at 760 mmHg
Molecular Weight 194.153
Flash Point 272.3 °C
Transport Information
Appearance Off-white to light-pink crystalline solid
Safety 24/25-45-36/37-26-53
Risk Codes 45-46-60-61-22-36/37/38
Molecular Structure
Hazard Symbols T, Xi
Synonyms 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide;CCRG 81045;Temozolodida [Spanish];Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide, 3, 4-dihydro-3-methyl-4-oxo-;Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3,4-dihydro-3-methyl-4-oxo-;3-methyl-2-oxo-1,3,4,5,8-pentazabicyclo[4.3.0]nona-4,6,8-triene-7-carboxamide;MB 39831;Methazolastone;Temozolomide [BAN:INN];Imidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide, 3,4-dihydro-3-methyl-4-oxo-;Temodal;3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide;Temozolomidum [Latin];8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one;
PSA 108.17000
LogP -1.37780

Synthetic route

: 624-83-9
methyl isocyanate

: 7008-85-7
5-diazoimidazole-4-carboxamide

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 480h;	98%
In 1,4-dioxane at 50℃;	76.5%
In dimethyl sulfoxide at 25℃;

: ethyl 3,4-dihydro-3-methyl-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylate

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With ammonium hydroxide; copper(II) sulfate at 100℃; for 6h; Reagent/catalyst; Temperature;	92%

: 8-carbamoyl-3-methyl-imidazo[5,1-d]-1,2,3,5-tetrazin-4(3H)-one hydrochloride

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With Lewatit Mono Plus MP-64 In acetone at 60 - 63℃; styrene-divinylbenzene (macroporous); Purification / work up;	90.3%
With acetic acid In water; acetone for 0.166667h; Purification / work up; Heating / reflux;	88%
With acetic acid In water; acetonitrile at 60 - 63℃; for 0.166667h; Purification / work up;	86.7%
With acetic acid In tetrahydrofuran; water for 0.166667h; Purification / work up; Heating / reflux;	70%

: 5-{3-methyl-3-[(phenyloxy)carbonyl]triazen-1-yl}imidazole-4-carboxamide

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
In methanol; acetone at 20℃; for 1h; UV-irradiation;	79%

: 8-carbamoyl-3-trimethylsilylmethylimidazo<5,1-d>-1,2,3,5-tetrazin-4(3H)-one

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In acetic acid; acetonitrile at 25℃; for 24h;	78%
With tetrabutyl ammonium fluoride; acetic acid In acetonitrile at 25℃;	78%

: 188612-53-5
5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Stage #1: 5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide With lithium chloride hydrate; acetic acid In water at 20℃; for 0.5h; Stage #2: With iodine; sodium nitrite In water at -10 - 20℃; for 3h;	76%
Stage #1: 5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide With acetic acid; lithium bromide In water at 20℃; for 1h; Stage #2: With sodium nitrite In water at -10 - 20℃; for 6h; Stage #3: With sodium thiosulfate In water for 0.333333h; Product distribution / selectivity;	64%
Stage #1: 5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide With sodium nitrite In water at 0℃; for 0.333333h; Stage #2: With tartaric acid In water at 0 - 60℃; for 4h;	47%

: 442534-20-5
N-tert-butyl-3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With sulfuric acid at 15 - 20℃; for 3h;	52%

: 188612-53-5
5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide

A: 85622-93-1
temozolomide

B: 4656-86-4
2-Azahypoxanthine

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite at 5 - 25℃;	A 35% B 15%

: 1161825-88-2
3-N-hydroxymethyl temozolomide

: 74-88-4
methyl iodide

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile	22%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 25℃;	22%

: 157467-00-0
(8-Carbamoyl-4-oxo-imidazo[5,1-d][1,2,3,5]tetrazin-3-yl)-acetic acid 2-thioxo-2H-pyridin-1-yl ester

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In N,N-dimethyl-formamide at 25℃; Irradiation; Yield given;
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In N,N-dimethyl-formamide for 0.5h; Ambient temperature; Irradiation; Yield given;

: 77-78-1
dimethyl sulfate

: 4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With triethylamine In dimethyl sulfoxide at 25℃; Yield given;

: 188612-53-5
5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide

A: 85622-93-1
temozolomide

B: 9-(N-methylcarbamoyl)-2-azahypoxanthine

Conditions

Conditions	Yield
With tartaric acid; sodium nitrite In water at 0℃; for 1h;	A 45 % Chromat. B n/a

: 5-{3-methyl-3-[(phenyloxy)carbonyl]triazen-1-yl}imidazole-4-carbonitrile

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 74 percent / aq. HCl / acetic acid / 0.42 h / Heating 2: 79 percent / acetone; methanol / 1 h / 20 °C / UV-irradiation View Scheme

: 1025840-09-8
C17H18N6O3

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 2.05 g / TFA / acetic acid; methanol / 5 h / 20 °C 2: 74 percent / aq. HCl / acetic acid / 0.42 h / Heating 3: 79 percent / acetone; methanol / 1 h / 20 °C / UV-irradiation View Scheme

: 196806-10-7
5-Amino-4-carbamoyl-imidazole-1-carboxylic acid 4-nitro-phenyl ester

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 48 percent / tetrahydrofuran; ethanol / 25 °C 2: 45 percent Chromat. / NaNO2, tartaric acid / H2O / 1 h / 0 °C View Scheme

: 157466-98-3
8-carbamoyl-3,4-dihydro-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazin-3-ylacetic acid

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: N-methylmorpholine / dimethylformamide / 0.17 h / -15 - -10 °C 2: Et3N / dimethylformamide / 0.5 h / -15 - -10 °C 3: AIBN, Bu3SnH / dimethylformamide / 0.5 h / Ambient temperature; Irradiation View Scheme
Multi-step reaction with 3 steps 1: N-methylmorpholine / dimethylformamide / -15 °C 2: Et3N / -15 °C 3: Bu3SnH, AIBN / dimethylformamide / 25 °C / Irradiation View Scheme

: 157466-97-2
ethyl (8-carbamoyl-3,4-dihydro-4-oxoimidazo<5,1-d>-1,2,3,5-tetrazin-3-yl)acetate

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 80 percent / aq. HCl / 4 h / 40 - 45 °C 2: N-methylmorpholine / dimethylformamide / 0.17 h / -15 - -10 °C 3: Et3N / dimethylformamide / 0.5 h / -15 - -10 °C 4: AIBN, Bu3SnH / dimethylformamide / 0.5 h / Ambient temperature; Irradiation View Scheme
Multi-step reaction with 4 steps 1: 80 percent / 5M aq. HCl / 45 °C 2: N-methylmorpholine / dimethylformamide / -15 °C 3: Et3N / -15 °C 4: Bu3SnH, AIBN / dimethylformamide / 25 °C / Irradiation View Scheme

: 157466-99-4
C12H14N6O6

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Et3N / dimethylformamide / 0.5 h / -15 - -10 °C 2: AIBN, Bu3SnH / dimethylformamide / 0.5 h / Ambient temperature; Irradiation View Scheme
Multi-step reaction with 2 steps 1: Et3N / -15 °C 2: Bu3SnH, AIBN / dimethylformamide / 25 °C / Irradiation View Scheme

: 157466-96-1
[(5-Amino-4-carbamoyl-imidazole-1-carbonyl)-amino]-acetic acid ethyl ester

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 93 percent / 2N aq. NCl, NaNO2 / 0 °C 2: 80 percent / 5M aq. HCl / 45 °C 3: N-methylmorpholine / dimethylformamide / -15 °C 4: Et3N / -15 °C 5: Bu3SnH, AIBN / dimethylformamide / 25 °C / Irradiation View Scheme

: 72-40-2
5-amino-1H-imidazole-4-carboxamide monohydrochloride

: 7693-46-1
4-Nitrophenyl chloroformate

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
With triethylamine In dichloromethane

: 4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

: 74-88-4
methyl iodide

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Stage #1: 4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.05h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 2.5h;
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 5h;

: 865071-35-8
5-diazoimidazole-4-carboxiamide

: 624-83-9
methyl isocyanate

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 72h; Industry scale;

: 1332700-58-9
tert-butyl (8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3(4H)-yl)methylcarbamate

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride / water / 15 h / 4 - 20 °C / Darkness 2: sodium hydride / N,N-dimethyl-formamide / 5 h / 0 - 20 °C View Scheme

: 8-carbamoyl-3-(2-trimethylsilylethoxy)methylimidazo<5,1-d>-1,2,3,5-tetrazin-4(3H)-one

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: boron trifluoride diethyl etherate / chloroform / 2 h / 0 - 20 °C 2: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile View Scheme
Multi-step reaction with 2 steps 1: boron trifluoride / chloroform / 0 °C 2: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 25 °C View Scheme

: 530-62-1
1,1'-carbonyldiimidazole

: 85622-93-1
temozolomide

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: acetonitrile; N,N-dimethyl-formamide / 2 h / 20 °C 2.1: acetonitrile / 6 h / 55 - 60 °C 3.1: sodium nitrite / water / 0.33 h / 0 °C 3.2: 4 h / 0 - 60 °C View Scheme

: 85622-93-1
temozolomide

: 113942-30-6
3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrahydro-8-carboxylic acid

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite	100%
With sulfuric acid; water; sodium nitrite at 15 - 20℃;	98.6%
With sulfuric acid; sodium nitrite In water at 0℃;	80%

: 3482-49-3, 4680-36-8, 6990-06-3, 19030-42-3, 107380-53-0
fusidine

: 85622-93-1
temozolomide

: 21157-24-4
methyl (Z)-2-((3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethylhexadecahydro-17H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	97%

: 85622-93-1
temozolomide

: 144701-48-4
telmisatran

: 528560-93-2
4'-[[4-methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazol-1-yl]methyl]biphenyl-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	95%

: 27975-19-5
isosteviol

: 85622-93-1
temozolomide

: 30217-41-5
isosteviol methyl ester

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	95%

: 85622-93-1
temozolomide

: 520-33-2
hesperetin

: C6H6N6O2*C16H14O6

Conditions

Conditions	Yield
In ethanol for 1h;	94%

: 53-86-1
[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid

: 85622-93-1
temozolomide

: 1601-18-9
indomethacin methyl ester

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	93%

: 530-48-3
1,1-Diphenylethylene

: 85622-93-1
temozolomide

: 3282-18-6
1,1-diphenylcyclopropane

Conditions

Conditions	Yield
With meso-tetraphenylporphyrin iron(III) chloride; potassium hydroxide In water at 23℃; for 4h; Sealed tube;	93%

: 637-69-4
4-Methoxystyrene

: 85622-93-1
temozolomide

: 4030-17-5
4-methoxyphenylcyclopropane

Conditions

Conditions	Yield
With meso-tetraphenylporphyrin iron(III) chloride; potassium hydroxide In water at 23℃; for 4h; Catalytic behavior; Reagent/catalyst; Solvent; Sealed tube;	91%

: 29584-19-8, 471-80-7
steviol

: 85622-93-1
temozolomide

: 14364-16-0
methyl (4R,4aS,6aR,9S,11aR,11bS)-9-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	90%

: 110299-94-0
4-isopropylidene cyclohex-1-enyl methanol

: 85622-93-1
temozolomide

: (3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)-carbamic acid-4-isopropenylcyclohex-1-enylmethyl ester

Conditions

Conditions	Yield
Stage #1: temozolomide With oxalyl dichloride In 1,2-dichloro-ethane at 10℃; for 3h; Swern Oxidation; Inert atmosphere; Reflux; Stage #2: 4-isopropylidene cyclohex-1-enyl methanol In 1,2-dichloro-ethane at 20℃; for 14h; Time; Reflux;	89%

: 79-37-8
oxalyl dichloride

: 536-59-4, 18457-55-1
(-)-perillyl alcohol

: 85622-93-1
temozolomide

: (3-methyl 4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonyl)carbamic acid-4-isopropenyl cyclohex-1-enylmethyl ester

Conditions

Conditions	Yield
Stage #1: oxalyl dichloride; temozolomide In 1,2-dichloro-ethane at 20℃; for 3h; Inert atmosphere; Stage #2: (-)-perillyl alcohol In 1,2-dichloro-ethane at 20℃; for 14h; Inert atmosphere;	89%

...Expand

: 302-97-6
androst-4-en-3-one-17β-carboxylic acid

: 85622-93-1
temozolomide

: 2681-55-2
3-oxo-androst-4-ene-17β-carboxylic acid methyl ester

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 4h; Sealed tube;	89%

: 619-84-1
p-N,N-dimethylaminobenzoic acid

: 85622-93-1
temozolomide

: 1202-25-1
methyl 4-(N,N-dimethylamino)benzoate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	88%

: 85622-93-1
temozolomide

: 181955-79-3
N,N'-di-tert-butyloxycarbonylpiperazine-2-carboxylic acid

: 171504-98-6
O1,O4-di-tert-butyl O2-methyl piperazine-1,2,4-tricarboxylate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	88%

: 53716-49-7
2-(6-chloro-carbazol-2-yl)-propionic acid

: 85622-93-1
temozolomide

: 52263-88-4
methyl (2RS)-2-(6-chloro-9H-carbazol-2-yl)propanoate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	88%

: 35661-40-6
N-Fmoc L-Phe

: 85622-93-1
temozolomide

: 129397-81-5
methyl (((9H-fluoren-9-yl)methoxy)carbonyl)-L-phenylalaninate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	87%

: 626-20-0
3-methoxystyrene

: 85622-93-1
temozolomide

: 54134-93-9
1-cyclopropyl-3-methoxybenzene

Conditions

Conditions	Yield
With meso-tetraphenylporphyrin iron(III) chloride; potassium hydroxide In water at 23℃; for 4h; Sealed tube;	87%

: 302-79-4
all-trans-retinoic-acid

: 85622-93-1
temozolomide

: 339-16-2
all-trans-methyl retinoate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	86%

: 5937-49-5
epigibberic acid

: 85622-93-1
temozolomide

: 43207-02-9
(4bR,7S,9aS,10R)-1,7-dimethyl-8-oxo-4b,6,7,8,9,10-hexahydro-5H-7,9a-methanobenzo[a]azulene-10-carboxylate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	86%

: 85622-93-1
temozolomide

: 143824-78-6
3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester

: 405555-31-9
tert-butyl (S)-3-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-methoxy-3-oxopropyl)-1H-indole-1-carboxylate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	85%

: 85622-93-1
temozolomide

: 301323-33-1
3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carbothioamide

Conditions

Conditions	Yield
With 2,4-(4-phenoxyphenyl)-1,3-dithia-2λ(5),4λ(5)-diphosphetane 2,4-disulfides In dichloromethane Reflux;	84%
With Lawessons reagent In dichloromethane Reflux; Inert atmosphere;	80%

: 100-09-4
4-methoxybenzoic acid

: 85622-93-1
temozolomide

: 121-98-2
methyl 4-methoxybenzoate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	83%

: 104292-82-2
4-<(tetrahydropyran-2-yloxy)methyl>benzoic acid

: 85622-93-1
temozolomide

: 104292-97-9
methyl 4-<(tetrahydropyran-2-yloxy)methyl>benzoate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 4h; Sealed tube;	83%

: 104-01-8
4-Methoxyphenylacetic acid

: 85622-93-1
temozolomide

: 23786-14-3
4-methoxy-phenyl acetic acid methyl ester

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	83%

: 26171-23-3
1-methyl-5-(p-toluoyl)pyrrole-2-acetic acid

: 85622-93-1
temozolomide

: 33369-52-7
methyl 1-Methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	81%

: 85622-93-1
temozolomide

: gibberellic acid

: 510-50-9, 25274-38-8, 76675-42-8
(1R,2S,4aR,4bR,7S,9aS,10S)-2,7-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	81%

: 85622-93-1
temozolomide

: 99-96-7
4-hydroxy-benzoic acid

: 99-76-3
methyl 4-hydroxylbenzoate

Conditions

Conditions	Yield
With sodium carbonate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube;	80%

Temozolomide Chemical Properties

IUPAC Name: 3-Methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Synonyms of Temozolomide (CAS NO.85622-93-1): 3,4-Dihydro-3-methyl-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide ; 3-Methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide ; 8-Carbamoyl-3-methylimidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one
CAS NO: 85622-93-1
Molecular formula: C₆H₆N₆O₂
Molar weight: 194.15
Molecular Structure:
H bond acceptors: 8
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 83.16 Å²
Index of Refraction: 1.895
Molar Refractivity: 45.6 cm³
Molar Volume: 98.3 cm³
Surface Tension: 105 dyne/cm
Density: 1.97 g/cm³
Flash Point: 272.3 °C
Enthalpy of Vaporization: 80.1 kJ/mol
Boiling Point: 526.6 °C at 760 mmHg
Vapour Pressure: 3.53E-11 mmHg at 25°C
Storage temp: 2-8°C
Melting Point: 212°C dec.
Appearance: Off-White to Light-Pink Crystalline Solid
Product Categories of Temozolomide (CAS NO.85622-93-1): Active Pharmaceutical Ingredients;Antineoplastic;Intermediates & Fine Chemicals;Pharmaceuticals;Antitumour

Temozolomide Uses

Temozolomide (CAS NO.85622-93-1) can be used in treatment of Grade IV astrocytoma. Methylation damages the DNA and triggers the death of tumor cells,temozolomide's ability to alkylate/methylate DNA, which most often occurs at the N-7 or O-6 positions of guanine residues for the therapeutic benefit of temozolomide depends .

Temozolomide Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	125mg/kg (125mg/kg)		Cancer Research. Vol. 47, Pg. 5846, 1987.

Temozolomide Safety Profile

Safety Information about Temozolomide (CAS NO.85622-93-1):
Hazard Codes: T, Xi
The Risk Statements: 45-46-60-61-22-36/37/38
45: May cause cancer
46: May cause heritable genetic damage
60: May impair fertility
61: May cause harm to the unborn child
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements: 24/25-45-36/37-26-53
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
53: Avoid exposure - obtain special instruction before use
24/25: Avoid contact with skin and eyes
36/37: Wear suitable protective clothing and gloves

Temozolomide Analytical Methods

Laboratory studies and clinical trials are investigating whether it might be possible to further increase the anticancer potency of temozolomide by combining it with other pharmacologic agents.

Product Name

Temozolomide

Synthetic route

Temozolomide Chemical Properties

Temozolomide Uses

Temozolomide Toxicity Data With Reference

Temozolomide Safety Profile

Temozolomide Analytical Methods

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