Imatinib supplier | CasNO.152459-95-5

Name
Imatinib
EINECS 604-855-6
CAS No. 152459-95-5
Article Data82
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point 113°C
Formula C₂₉H₃₁N₇O
Boiling Point 451°C
Molecular Weight 493.611
Flash Point 196°C
Transport Information
Appearance off white powder
Safety 24/25
Risk Codes R23/24/25; R40; R48/23/24; R51/53
Molecular Structure
Hazard Symbols T,N
Synonyms alpha-(4-Methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl amino)-p-tolu-p-toluidide;4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;
PSA 86.28000
LogP 4.61210

Synthetic route

: 4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
Stage #1: 4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride; 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine In water at 0℃; Stage #2: With sodium hydroxide In water at 50 - 55℃; pH=9 - 9.5; Product distribution / selectivity;	99.26%
With pyridine at 0 - 20℃; for 1h; Product distribution / selectivity;	95%
Stage #1: 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine With pyridine for 0.333333h; Autoclave; Stage #2: 4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride at 0 - 25℃; for 8h;	92.7%

: 4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride

: N-(5-amino-2-methylphenyl)-4-(3-piridinyl)-2-pyrimidine amine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With sodium hydroxide In water at 0 - 55℃; pH=9 - 9.5;	99.26%

: C17H23N4O(1+)*CF3O3S(1-)

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 40 - 50℃; for 6h; Time;	97.8%

: 109-01-3
1-methyl-piperazine

: 404844-11-7
4-(chloromethyl)-N-(4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]-amino}phenyl)benzamide

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 4.5h; Temperature;	97.52%
In 1,4-dioxane at 135℃; for 3h; Conversion of starting material;	91%
at 120 - 130℃; for 1.5h; Conversion of starting material;	91%

: imatinib mesylate

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With ammonia In water Product distribution / selectivity;	97%

: 368879-17-8
4-[(4-methylpiperazin-1-yl)methyl]bromobenzene

: 201230-82-2
carbon monoxide

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With palladium diacetate; triethylamine; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 50℃; under 760.051 Torr; for 36h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	95.8%

...Expand

: 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-[(4-pyridin-3-yl)pyrimidin-2-ylamino]phenyl]benzamide dimesylate

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With ammonia In water; isopropyl alcohol at 20℃; for 4h; pH=7.6 - 8.5;	93%

: N-(3-guanidino-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide

: 55314-16-4, 75415-01-9, 123367-26-0
3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

: 152459-95-5
imatinib

Conditions

Conditions	Yield
In butan-1-ol at 120 - 150℃; for 5h; Inert atmosphere;	93%

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 4-((4-methylpiperazin-1-yl)methyl)benzoic acid dihydrochloride

: 152459-95-5
imatinib

Conditions

Conditions	Yield
Stage #1: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride With pyridine; thionyl chloride at 50 - 60℃; for 3h; Stage #2: 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine at -10 - 0℃; for 1h;	92.5%
Stage #1: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride With 1,1'-carbonyldiimidazole In N,N-dimethyl-formamide at 50℃; for 2h; Stage #2: 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine In N,N-dimethyl-formamide at 70℃; for 12h;	91%
Stage #1: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride With pyridine; thionyl chloride at 20 - 50℃; for 1 - 2h; Stage #2: 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine With pyridine at 0 - 25℃; for 1h; Product distribution / selectivity;	90%

: 581076-59-7
N-(3-bromo-4-methylphenyl)-4-((4-methylpiperazin-1-yl)-methyl)benzamide

: 66521-66-2
4-pyridin-3-ylpyrimidin-2-ylamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 140℃; for 5h; Temperature;	92%
Stage #1: N-(3-bromo-4-methylphenyl)-4-((4-methylpiperazin-1-yl)-methyl)benzamide; 4-pyridin-3-ylpyrimidin-2-ylamine In ethanol at 60℃; for 3h; Inert atmosphere; Stage #2: With sodium hydroxide In water pH=8.7; Reagent/catalyst;	91%
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene for 5.16667h; Inert atmosphere; Reflux; Sonication;	72%

: 1044872-32-3
4-(4-methyl piperazin-1-ylmethyl)-benzoic acid ethyl ester

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With sodium methylate In dichloromethane at 40℃;	92%

: N-(5-iodo-2-methylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine

: 4-((4-methylpiperazin-1-yl)methyl)benzamide

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With copper(l) iodide; 1,10-Phenanthroline In tetrahydrofuran at 20℃; for 4h; Inert atmosphere;	92%

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 106261-48-7
4-(4-methylpiperazin-1-ylmethyl)benzoic acid

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide at 20 - 30℃; Solvent;	91.72%
Stage #1: 4-(4-methylpiperazin-1-ylmethyl)benzoic acid With pyridine; thionyl chloride at 0 - 50℃; for 1 - 2h; Stage #2: 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine With pyridine at 0 - 20℃; for 1h; Product distribution / selectivity;	88%
Stage #1: 4-(4-methylpiperazin-1-ylmethyl)benzoic acid With dmap; benzotriazol-1-ol; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 18h; Stage #2: 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine With dmap In dichloromethane at 15 - 25℃; for 49h; Product distribution / selectivity;	77%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In tetrahydrofuran; water at 20℃; for 1.16667h;	72%

: C22H31N5Si2

: 4-((4-methylpiperazin-1-yl)methyl)benzoic acid dihydrochloride

: 152459-95-5
imatinib

Conditions

Conditions	Yield
Stage #1: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 10 - 20℃; for 0.5h; Stage #2: With tetrabutyl ammonium fluoride; 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 3h; Stage #3: C22H31N5Si2 In dichloromethane at 0 - 20℃; for 3h; Solvent; Reagent/catalyst;	91.3%
Stage #1: 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid dihydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 10 - 20℃; for 0.5h; Stage #2: With tetrabutyl ammonium fluoride; 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 3h; Stage #3: C22H31N5Si2 In dichloromethane at 20℃; for 3h; Solvent; Reagent/catalyst;	91.3%

: 571187-03-6
N,N-(4-methyl-3-aminophenyl)[4-(pyridin-3-yl)-pyrimidin-2-yl]amine

: 314268-40-1
4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With sodium methylate In tetrahydrofuran; methanol Product distribution / selectivity; Reflux;	91%

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 314268-40-1
4-((4-methylpiperazin-1-yl)methyl)-benzoic acid methyl ester

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With sodium methylate In tetrahydrofuran at 70℃;	91%
With trimethylaluminum In toluene at 40℃; for 0.5h; Inert atmosphere;

: 4-(4-methyl-piperazin-1-methyl)-benzoic acid phenyl ester

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With cesium hydroxide In propan-1-ol at 80℃;	90.5%

: 1232493-61-6
4-(4-methyl-piperazin-1-methyl)-benzoic acid benzyl ester

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With sodium ethanolate In toluene at 50℃; Reagent/catalyst; Solvent;	90%

: 1232493-65-0
4-(4-methyl-piperazin-1-methyl)-benzoic acid propyl ester

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With potassium tert-butylate In N,N-dimethyl-formamide at 50℃; Large scale;	90%

: 1232493-67-2
4-(4-methyl-piperazin-1-methyl)-benzoic acid 4-methoxy-benzyl ester

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With n-butyllithium In acetonitrile at 20℃;	90%

: 1232493-72-9
4-(4-methyl-piperazin-1-methyl)-benzoic acid p-tolyl ester

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With potassium carbonate In ethyl acetate at 50℃; Reagent/catalyst; Solvent;	90%

: N-(3-amino-4-methylphenyl)-4-((4-methyl-1-piperazinyl)methyl)benzamide

: 2-ethoxy-4-(3-pyridyl)pyrimidine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With dmap In 5,5-dimethyl-1,3-cyclohexadiene at 135℃; for 4h; Temperature; Solvent; Reagent/catalyst;	87.1%

: 109-01-3
1-methyl-piperazine

: 876-08-4
p-(chloromethyl)benzoyl chloride

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
Stage #1: p-(chloromethyl)benzoyl chloride; 6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine With triethylamine In tetrahydrofuran at 0℃; for 3h; Buchwald-Hartwig Coupling; Inert atmosphere; Stage #2: 1-methyl-piperazine In tetrahydrofuran at 80℃; for 12h; Reflux; Inert atmosphere; chemoselective reaction;	87%
With pyridine In 1-methyl-pyrrolidin-2-one at 40 - 80℃;

...Expand

: 109-01-3
1-methyl-piperazine

: 1072105-05-5
N-(3-bromo-4-methylphenyl)-4-(chloromethyl)benzamide

: 66521-66-2
4-pyridin-3-ylpyrimidin-2-ylamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With copper(l) iodide; sodium acetate; N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 100℃; for 4h; Reagent/catalyst; Solvent; Temperature; Inert atmosphere;	86%

...Expand

: 1206604-20-7
N-5-bromo-2-methylphenyl(4-pyridine-3-yl)pyrimidine-2-amine

: 4-((4-methylpiperazin-1-yl)methyl)benzamide

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate; N,N-dimethylethylenediamine In 1,4-dioxane at 85℃; for 18h; Reflux; Inert atmosphere;	85.4%
With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine In water; toluene for 24h; Solvent; Reflux; Green chemistry;	84.1%

: N-(3-amino-4-methylphenyl)-4-((4-methyl-1-piperazinyl)methyl)benzamide

: 2-methoxy-4-(3-pyridyl)pyrimidine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With dmap In tetrahydrofuran at 65℃; for 7h; Temperature; Solvent; Reagent/catalyst;	85.2%

: N-(3-amino-4-methylphenyl)-4-((4-methyl-1-piperazinyl)methyl)benzamide

: 483324-01-2
2-chloro-4-(pyridin-3-yl)pyrimidine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With acetic acid In 1,4-dioxane at 110℃; for 6h; Temperature; Solvent; Green chemistry;	84.5%

: C16H22N4O

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

: 152459-95-5
imatinib

Conditions

Conditions	Yield
With Imidazole hydrochloride at 15 - 20℃; Reagent/catalyst; Temperature;	84%

: 641615-51-2
N-(5-amino-2-methylphenyl)-4-(3-pyridyl)-2-pyridineamine

: 1373517-04-4
S-benzotrizol-2-yl-4-[(4-methylpiperazin-1-yl)methyl]benzoate

: 152459-95-5
imatinib

Conditions

Conditions	Yield
In toluene at 25 - 50℃;	80.15%

: 1373517-04-4
S-benzotrizol-2-yl-4-[(4-methylpiperazin-1-yl)methyl]benzoate

: 1001756-77-9
C17H16N4

: 152459-95-5
imatinib

Conditions

Conditions	Yield
In toluene at 25 - 50℃;	80.15%

: 79-43-6
dichloro-acetic acid

: 152459-95-5
imatinib

: 1313492-09-9
4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]benzamide dichloroacetate

Conditions

Conditions	Yield
In isopropyl alcohol at 20 - 25℃; for 3h; Product distribution / selectivity;	100%
In isopropyl alcohol at 20 - 25℃; for 3h; Product distribution / selectivity;	100%

: 75-75-2
methanesulfonic acid

: 152459-95-5
imatinib

: imatinib mesylate

Conditions

Conditions	Yield
In acetone at 55 - 60℃; for 2h; Concentration; Temperature; Time;	99.89%
In di-isopropyl ether; isopropyl alcohol at 20℃; for 3.16667h; Product distribution / selectivity; Reflux;	97%
In isopropyl alcohol; acetone for 3h; Reflux;	97.1%

: 75-75-2
methanesulfonic acid

: 152459-95-5
imatinib

: imatinib mesylate

Conditions

Conditions	Yield
In isopropyl alcohol at 20 - 80℃; Product distribution / selectivity; Reflux;	99.6%
In methanol at 50 - 55℃; for 2.5h; Solvent; Temperature;	95%
In methanol at -10 - 0℃; for 0.333333h; Product distribution / selectivity;	58%

: 152459-95-5
imatinib

: 152460-10-1
6-methyl-1-N-(4-(pyridin-3-yl)pyrimidin-2-yl)benzene-1,3-diamine

Conditions

Conditions	Yield
With hydrogenchloride; acetic acid at 20℃; Reflux;	97%

: 7400-08-0
p-Coumaric Acid

: 152459-95-5
imatinib

: C29H31N7O*C9H8O3

Conditions

Conditions	Yield
In methanol; 5,5-dimethyl-1,3-cyclohexadiene at 25 - 80℃; for 18h;	94%
In methanol; 5,5-dimethyl-1,3-cyclohexadiene at 25 - 80℃; for 18h;	94%

: 76-26-6, 3144-16-9, 5872-08-2, 35963-20-3
camphor-10-sulfonic acid

: 152459-95-5
imatinib

: 1012885-61-8
4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]phenyl]-benzamide D,L-(+/-)-camphorsulphonate

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h; Product distribution / selectivity; Heating / reflux;	93.8%
Stage #1: camphor-10-sulfonic acid; imatinib In methanol at 20℃; for 1h; Activated carbon; Stage #2: In isopropyl alcohol at 20℃; for 1h; Product distribution / selectivity;	91.1%

: 75-75-2
methanesulfonic acid

: 152459-95-5
imatinib

: 4-(4-methylpiperazin-1-ylmethyl)-N-[4-methyl-3-[(4-pyridin-3-yl)pyrimidin-2-ylamino]phenyl]benzamide dimesylate

Conditions

Conditions	Yield
In water; isopropyl alcohol at 20℃;	91%
In ethanol at 20 - 70℃; for 3.33h; Product distribution / selectivity; Heating / reflux;
In isopropyl alcohol at 65 - 70℃; Product distribution / selectivity;

: 331-39-5
caffeic acid

: 152459-95-5
imatinib

: C29H31N7O*C10H10O4

Conditions

Conditions	Yield
In methanol; 5,5-dimethyl-1,3-cyclohexadiene at 25 - 80℃; for 18h;	90%

: 1135-24-6
(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

: 152459-95-5
imatinib

: C29H31N7O*C10H10O4

Conditions

Conditions	Yield
In methanol; 5,5-dimethyl-1,3-cyclohexadiene at 25 - 80℃; for 18h;	90%

Imatinib History

Imatinib (CAS NO.152459-95-5) was developed by rational drug design. After the Philadelphia chromosome mutation and defective bcr-abl protein were discovered, the investigators screened chemical libraries to find a drug that would inhibit that protein. They identified 2-phenylaminopyrimidine with high-throughput screening, then it is tested and modified by the introduction of methyl and benzamide groups to give it enhanced binding properties, producing Imatinib.

Imatinib Specification

1. Introduction of Imatinib
Imatinib is one kind of white to off-white crystalline or pale yellow powder. The IUPAC Name of this chemical is 4-[(4-Methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide. Besides, Imatinib belongs to Molecular Targeted Antineoplastic;Pharmaceutical intermediate;Imatinib. In addition, the Classification Code of this chemical is Antineoplastic; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors. Imatinib is very soluble in water at pH < 5.5 (mesylate salt). It should be stored at refrigerator.

2. Properties of Imatinib
Physical properties about Imatinib are:
(1)Index of Refraction: 1.671; (2)Surface Tension: 63.6 dyne/cm; (3)Density: 1.255 g/cm³; (4)H bond acceptors: 8; (5)H bond donors: 2; (6)Freely Rotating Bonds: 6; (7)Polar Surface Area: 68.7 Å²; (8)Index of Refraction: 1.671; (9)Molar Refractivity: 147.09 cm³; (10)Molar Volume: 393 cm³; (11)XLogP3-AA: 3.5; (12)H-Bond Donor: 2; (13)H-Bond Acceptor: 7; (14)Rotatable Bond Count: 7; (15)Tautomer Count: 6; (16)Exact Mass: 493.259009; (17)MonoIsotopic Mass: 493.259009; (18)Topological Polar Surface Area: 86.3; (19)Heavy Atom Count: 37; (20)Formal Charge: 0; (21)Complexity: 706; (22)Isotope Atom Count: 0; (23)Defined Atom Stereocenter Count: 0; (24)Undefined Atom Stereocenter Count: 0; (25)Defined Bond Stereocenter Count: 0; (26)Undefined Bond Stereocenter Count: 0; (27)Covalently-Bonded Unit Count: 1; (28)Feature 3D Acceptor Count: 3; (29)Feature 3D Donor Count: 2; (30)Feature 3D Cation Count: 3; (31)Feature 3D Ring Count: 5; (32)Effective Rotor Count: 9.2; (33)Conformer Sampling RMSD: 1.

3. Structure Descriptors of Imatinib
(1)SMILES: O=C(Nc3ccc(c(Nc2nc(c1cccnc1)ccn2)c3)C)c4ccc(cc4)CN5CCN(CC5)C
InChI: InChI=1/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
(2)InChIKey: KTUFNOKKBVMGRW-UHFFFAOYAJ
(3)Std. InChI: InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
(4)Std. InChIKey: KTUFNOKKBVMGRW-UHFFFAOYSA-N

4. Uses of Imatinib
Imatinib is used in chronic myelogenous leukemia (CML), gastrointestinal stromal tumors (GISTs) and a number of other malignancies. Imatinib (originally STI571) is a drug used to treat certain cancers. It is the first member of a new class of agents that act by inhibiting particular tyrosine kinase enzymes, instead of non-specifically inhibiting rapidly dividing cells.

5. Production of Imatinib
N-(5-Amino-2-methylphenyl)-4-(3-pyridyl)-2-pyrimidineamine and 4-(4-Methylpiperazin-1-ylmethyl)benzoyl chloride can used to manufacture Imatinib when them are soluble in Azabenzene. And the condition of this reaction can be taken place under the room temperature and nitrogen. Then stir them, reduced pressure concentration, add water, cooling, filter, filter cake vacuum drying, join methylene chloride - methanol, and filtering. At last, you can get the Imatinib.

Product Name

Imatinib

Synthetic route

Imatinib History

Imatinib Specification

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