-
Name
REVERSE T3
- EINECS 229-999-3
- CAS No. 5817-39-0
- Article Data11
- CAS DataBase
- Density 2.387 g/cm3
- Solubility
- Melting Point 234-238 °C(lit.)
- Formula C15H12I3NO4
- Boiling Point 534.6 °C at 760 mmHg
- Molecular Weight 650.978
- Flash Point 277.1 °C
- Transport Information
- Appearance powder
- Safety 36
- Risk Codes 36/37/38-20/21/22
-
Molecular Structure
-
Hazard Symbols
Xn
- Synonyms Alanine,3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]-, L- (8CI);3,3',5'-L-Triiodothyronine;3,3',5'-T3;3,3',5'-Triiodo-L-thyronine;3,3',5'-Triiodothyronine;3',5',3-Triiodothyronine;Isoliothyronine;ReverseL-triiodothyronine;Reverse T3;Reverse triiodothyronine;rT3;
- PSA 92.78000
- LogP 4.65300
Synthetic route
| Conditions | Yield |
|---|---|
| With iodine for 0.00833333h; Rate constant; |
-
-
10468-90-3
3-Monoiodothyronine
-
-
5817-39-0
L-3,3',5'-triiodothyronine
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; iodine |
| Conditions | Yield |
|---|---|
| With diothiothreitol; rat liver microsomal protein 5'-T4-deiodinase (5'-T4Dase) In phosphate buffer at 37℃; for 0.5h; pH=7.4; Enzyme kinetics; Further Variations:; reaction time; | |
| With Naphthalene-1,8-diselenol; D,L-dithiothreitol at 37℃; pH=7.5; Kinetics; pH-value; Concentration; Time; Reagent/catalyst; aq. phosphate buffer; regioselective reaction; | |
| With C13H15NSe2; D,L-dithiothreitol at 37℃; pH=7.5; aq. phosphate buffer; regioselective reaction; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: (i) MeOH, TsOH, CH2Cl2, (ii) aq. NH3 2: (i) NaOEt, DMF, (ii) /BRN= 6464137/ 3: aq. HBr, AcOH 4: I2, aq. NH3 View Scheme |
-
-
59302-20-4
(S)-2-Acetylamino-3-[3-iodo-4-(4-methoxy-phenoxy)-phenyl]-propionamide
-
-
5817-39-0
L-3,3',5'-triiodothyronine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aq. HBr, AcOH 2: I2, aq. NH3 View Scheme |
-
-
59302-19-1
N-Acetyl-3-iodo-L-tyrosinamid
-
-
5817-39-0
L-3,3',5'-triiodothyronine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: (i) NaOEt, DMF, (ii) /BRN= 6464137/ 2: aq. HBr, AcOH 3: I2, aq. NH3 View Scheme |
-
-
903571-91-5
C10H8SSe
-
-
51-48-9
L-thyroxine
-
A
-
64869-35-8
naphtho<1,8-cd>thiaselenole
-
B
-
5817-39-0
L-3,3',5'-triiodothyronine
| Conditions | Yield |
|---|---|
| With DL-dithiothreitol at 37℃; pH=7.5; aq. phosphate buffer; regioselective reaction; | |
| at -20℃; regioselective reaction; |
-
-
1261500-99-5
C13H15NSSe
-
-
51-48-9
L-thyroxine
-
A
-
1261501-03-4
C13H13NSSe
-
B
-
5817-39-0
L-3,3',5'-triiodothyronine
| Conditions | Yield |
|---|---|
| With DL-dithiothreitol at 37℃; pH=7.5; aq. phosphate buffer; |
-
-
51-48-9
L-thyroxine
-
-
25079-77-0
naphthalene-1,8-dithiol
-
A
-
5817-39-0
L-3,3',5'-triiodothyronine
-
B
-
209-22-3
1,8-naphthalenedisulfide
| Conditions | Yield |
|---|---|
| With DL-dithiothreitol at 37℃; pH=7.5; aq. phosphate buffer; |
-
-
51-48-9
L-thyroxine
-
A
-
4732-82-5
3'-Iodothyronine
-
B
-
10468-90-3
3-Monoiodothyronine
-
C
-
70-40-6, 58342-32-8, 4604-41-5
L-3,3'-Diiodothyronine
-
D
-
4192-14-7
3',5'-Diiodothyronine
-
E
-
5817-39-0
L-3,3',5'-triiodothyronine
-
F
-
1596-67-4
O-(4-hydroxyphenyl)-3,5-diiodo-L-tyrosine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; C10H8STe; D,L-dithiothreitol In aq. phosphate buffer at 37℃; for 0.5h; pH=7.5; Reagent/catalyst; regioselective reaction; |
-
-
5817-39-0
L-3,3',5'-triiodothyronine
| Conditions | Yield |
|---|---|
| With chlorosulfonic acid; trifluoroacetic acid at 0℃; | 21% |
-
-
5817-39-0
L-3,3',5'-triiodothyronine
-
A
-
4732-82-5
3'-Iodothyronine
-
B
-
10468-90-3
3-Monoiodothyronine
-
C
-
70-40-6, 58342-32-8, 4604-41-5
L-3,3'-Diiodothyronine
-
D
-
4192-14-7
3',5'-Diiodothyronine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; C10H8Te2; D,L-dithiothreitol In aq. phosphate buffer at 37℃; for 0.5h; pH=7.5; regioselective reaction; |
-
-
5817-39-0
L-3,3',5'-triiodothyronine
-
A
-
4732-82-5
3'-Iodothyronine
-
B
-
10468-90-3
3-Monoiodothyronine
-
C
-
70-40-6, 58342-32-8, 4604-41-5
L-3,3'-Diiodothyronine
-
D
-
4192-14-7
3',5'-Diiodothyronine
-
E
-
1596-67-4
O-(4-hydroxyphenyl)-3,5-diiodo-L-tyrosine
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; C10H8STe; D,L-dithiothreitol In aq. phosphate buffer at 37℃; for 0.5h; pH=7.5; Reagent/catalyst; regioselective reaction; |
-
-
5817-39-0
L-3,3',5'-triiodothyronine
-
A
-
4732-82-5
3'-Iodothyronine
-
B
-
10468-90-3
3-Monoiodothyronine
-
C
-
1596-67-4
O-(4-hydroxyphenyl)-3,5-diiodo-L-tyrosine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: D,L-dithiothreitol; sodium tetrahydroborate; C10H8STe / aq. phosphate buffer / 0.5 h / 37 °C / pH 7.5 2: D,L-dithiothreitol; sodium tetrahydroborate; C10H8STe / aq. phosphate buffer / 0.5 h / 37 °C / pH 7.5 View Scheme |
| Conditions | Yield |
|---|---|
| With triethylamine In 1,4-dioxane; water at 0 - 20℃; for 30.5h; |
L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- Specification
The L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- is an organic compound with the formula C15H12I3NO4. The IUPAC name of this chemical is (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid. With the CAS registry number 5817-39-0, it is also named as 4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine. The product's categories are Amino Acids & Derivatives; Labeling and Diagnostics Reagents; Intermediates & Fine Chemicals; Pharmaceuticals; Isotope Labeled Compounds. Besides, it should be stored at temperature of 2-8 °C.
Physical properties about L-Tyrosine,O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- are: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 22.73; (6)ACD/BCF (pH 7.4): 8.84; (7)ACD/KOC (pH 5.5): 63.02; (8)ACD/KOC (pH 7.4): 24.51; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 48Å2; (13)Index of Refraction: 1.763; (14)Molar Refractivity: 112.53 cm3; (15)Molar Volume: 272.6 cm3; (16)Polarizability: 44.61×10-24cm3; (17)Surface Tension: 75.9 dyne/cm; (18)Density: 2.387 g/cm3; (19)Flash Point: 277.1 °C; (20)Enthalpy of Vaporization: 85.35 kJ/mol; (21)Boiling Point: 534.6 °C at 760 mmHg; (22)Vapour Pressure: 2.93E-12 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic2cc(Oc1ccc(cc1I)CC(C(=O)O)N)cc(I)c2O
(2)InChI: InChI=1/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)
(3)InChIKey: HZCBWYNLGPIQRK-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)
(5)Std. InChIKey: HZCBWYNLGPIQRK-UHFFFAOYSA-N
Related Products
- L-Tyrosine
- L-Tyrosine benzyl ester
- L-Tyrosine benzyl ester p-toluenesulfonate
- L-Tyrosine disodium salt
- L-Tyrosine hydrochloride
- L-Tyrosine, 2-iodo-
- L-Tyrosine, 3-amino-, hydrochloride (1:2)
- L-Tyrosine, 3-methoxy-
- L-Tyrosine, butyl ester
- L-Tyrosine, D-leucyl-
- 58175-07-8
- 581-75-9
- 58176-69-5
- 58176-73-1
- 5817-70-9
- 58177-53-0
- 58177-61-0
- 581813-17-4
- 5818-15-5
- 5818-17-7
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View