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Cas Database |
| Name |
Tenatoprazole |
EINECS | 601-277-6 |
| CAS No. | 113712-98-4 | Density | 1.41 g/cm3 |
| PSA | 109.20000 | LogP | 3.16040 |
| Solubility | N/A | Melting Point |
178-180°C |
| Formula | C16H18N4O3S | Boiling Point | 591.5 °C at 760 mmHg |
| Molecular Weight | 346.41 | Flash Point | 311.5 °C |
| Transport Information | N/A | Appearance | white crystalline powder |
| Safety | 26-36/37 | Risk Codes | 22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
1H-Imidazo[4,5-b]pyridine,5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]- (9CI);2-[2-((4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl]-5-methoxyimidazo[4,5-b]pyridine;5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-imidazo[4,5-b]pyridine;TU 199;3H-Imidazo[4,5-b]pyridine,5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-; |
Article Data | 6 |
Tenatoprazole Synthetic route
- 124-41-4
sodium methylate
- 113712-98-4
tenatoprazole
| Conditions | Yield |
|---|---|
| In methanol at -5℃; for 18h; | 79.4% |
- 113713-24-9
5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1H-imidazo[4,5-b]pyridine
- 113712-98-4
tenatoprazole
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In chloroform at -15 - -10℃; Large scale reaction; | 74% |
| With 3-chloro-benzenecarboperoxoic acid In dichloromethane for 1h; | 66.4% |
| With 3-chloro-benzenecarboperoxoic acid In chloroform |
- 113713-24-9
5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1H-imidazo[4,5-b]pyridine
B
- 113712-98-4
tenatoprazole
| Conditions | Yield |
|---|---|
| With 3-chloro-benzenecarboperoxoic acid In chloroform at 5℃; for 0.0166667h; Product distribution / selectivity; |
- 113712-98-4
tenatoprazole
- 74-88-4
methyl iodide
- 721924-07-8
5-methoxy-2-(4-methoxy-3,5-dimethylpyridin-2-ylmethanesulfinyl)-1-methyl-1H-imidazo[4,5-b]pyridine
| Conditions | Yield |
|---|---|
| With dmap; potassium carbonate In dichloromethane at 25 - 30℃; for 10h; | 91.3% |
- 113712-98-4
tenatoprazole
A
- 113713-24-9
5-methoxy-2-((4-methoxy-3,5-dimethylpyridin-2-yl)methylthio)-1H-imidazo[4,5-b]pyridine
| Conditions | Yield |
|---|---|
| With D-glucose-6-; nicotinamide adenine dinucleotide phosphate; yeast glucose-6-phosphate dehydrogenase In aq. phosphate buffer at 37℃; pH=7.4; Catalytic behavior; Kinetics; Reagent/catalyst; Enzymatic reaction; regioselective reaction; | A n/a B 8.2% C 1.3% |
| With G1T mutant of CYP102A1; NADPH In aq. phosphate buffer; dimethyl sulfoxide at 37℃; for 2h; pH=7.4; Reagent/catalyst; Time; Enzymatic reaction; |
- 651728-13-1
(4-chlorosulfonylphenoxy)acetic acid 2-(toluene-4-sulfonyl)ethyl ester
- 113712-98-4
tenatoprazole
A
- 1015067-31-8
2-tosylethyl 2-{4-[5-methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-1H-imidazo[4,5-b]pyridine-1-ylsulfonyl]-phenoxy}-acetate
B
- 1015067-32-9
2-tosylethyl 2-{4-[5-methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfinyl)-3H-imidazo[4,5-b]pyridine-3-ylsulfonyl]-phenoxy}-acetate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate; triethylamine In dichloromethane at 20℃; |
- 113712-98-4
tenatoprazole
| Conditions | Yield |
|---|---|
| Resolution of racemate; | |
| Resolution of racemate; |
- 635751-00-7
2-[(chlorocarbonyl)(methyl)amino]ethyl ethyl carbonate
- 113712-98-4
tenatoprazole
| Conditions | Yield |
|---|---|
| With triethylamine; dmap In tetrahydrofuran at 60℃; for 6h; | |
| With dmap; triethylamine In tetrahydrofuran at 60℃; for 6h; | 0.721 g |
- 635751-44-9
2-[(chlorocarbonyl) (phenyl)amino]ethyl acetate
- 113712-98-4
tenatoprazole
| Conditions | Yield |
|---|---|
| With triethylamine; dmap In tetrahydrofuran at 60℃; for 10h; | |
| With dmap; triethylamine In tetrahydrofuran at 60℃; for 10h; | 0.311 g |
- 113712-98-4
tenatoprazole
| Conditions | Yield |
|---|---|
| Resolution of racemate; |
Tenatoprazole Chemical Properties
Molecule structure of Tenatoprazole (CAS NO.113712-98-4):
IUPAC Name: 5-Methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
Molecular Weight: 346.40412 g/mol
Molecular Formula: C16H18N4O3S
Density: 1.41 g/cm3
Boiling Point: 591.5 °C at 760 mmHg
Flash Point: 311.5 °C
Index of Refraction: 1.673
Molar Refractivity: 91.81 cm3
Molar Volume: 244.7 cm3
Surface Tension: 82.3 dyne/cm
Enthalpy of Vaporization: 88.22 kJ/mol
Vapour Pressure: 5.8E-14 mmHg at 25 °C
Storage Temp.: −20 °C
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 5
Tautomer Count: 3
Exact Mass: 346.109961
MonoIsotopic Mass: 346.109961
Topological Polar Surface Area: 90
Heavy Atom Count: 24
Canonical SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
InChI: InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
InChIKey: ZBFDAUIVDSSISP-UHFFFAOYSA-N
Product Categories: Heterocyclic Compounds; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds; API's
Tenatoprazole Uses
Tenatoprazole (CAS NO.113712-98-4) is used as a proton pump inhibitor for reduction and/or prevention of gastrointestinal disorders.
Tenatoprazole Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22-36/37/38
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
Tenatoprazole Specification
Tenatoprazole (CAS NO.113712-98-4) is also named as (+-)-5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridyl)methyl)sulfinyl)-1H-imidazo(4,5-b)pyridine ; 5-Methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)-1H-imidazo(4,5-b)pyridine ; Protop ; Tu 199 ; UNII-RE0689TX2K ; Ulsacare ; 1H-Imidazo(4,5-b)pyridine, 5-methoxy-2-(((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)sulfinyl)- . Tenatoprazole (CAS NO.113712-98-4) is white crystalline powder. It is an imidazopyridine derivative and has an imidazopyridine ring in place of the benzimidazole moiety found in other proton pump inhibitors.
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