CAS No.113712-98-4,Tenatoprazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113712-98-4
Name:	Tenatoprazole
Article Data:	6

Formula:	C₁₆H₁₈N₄O₃S
Molecular Weight:	346.41
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]-;
EINECS:	601-277-6
Density:	1.41 g/cm³
Melting Point:	178-180°C
Boiling Point:	591.5 °C at 760 mmHg
Flash Point:	311.5 °C
Appearance:	white crystalline powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36/37
PSA:	109.20000
LogP:	3.16040

Synthetic route

: 5-methoxy-2-[(4-nitro-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine

: 124-41-4
sodium methylate

: 113712-98-4
tenatoprazole

Conditions

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

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

A: 5-methoxy-2-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethanesulfonyl)-1H-imidazo[4,5-b]pyridine

B: 113712-98-4
tenatoprazole

Conditions

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

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

B: 5'-hydroxyltenatoprazole

C: 5'-hydroxyltenatoprazole sulfide

Conditions

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;

...Expand

: 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

Conditions	Yield
With sodium hydrogencarbonate; triethylamine In dichloromethane at 20℃;

...Expand

: 113712-98-4
tenatoprazole

: (-)5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-imidazo[4,5-b]pyridine

Conditions

Conditions	Yield
Resolution of racemate;
Resolution of racemate;

: 635751-00-7
2-[(chlorocarbonyl)(methyl)amino]ethyl ethyl carbonate

: 113712-98-4
tenatoprazole

: ethyl 2-[[[5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-3H-imidazo[4,5-b]pyridin-3-yl]carbonyl](methyl)amino]ethyl carbonate

Conditions

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

: 2-[[[5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-3H-imidazo[4,5-b]pyridin-3-yl]carbonyl](phenyl)amino]ethyl acetate

Conditions

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

: (+)5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridyl)methyl]sulfinyl]-1H-imidazo[4,5-b]pyridine

Conditions

Conditions	Yield
Resolution of racemate;

Raw Materials

113713-24-9

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Chemistry

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

Uses

Tenatoprazole (CAS NO.113712-98-4) is used as a proton pump inhibitor for reduction and/or prevention of gastrointestinal disorders.

Safety Profile

Hazard Codes: Harmful 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.

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.