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Vonoprazan

Vonoprazan structure

CAS No:
881681-00-1
Formula:
C17H16FN3O2S
Chemical Name:
Vonoprazan
Synonyms:
1H-Pyrrole-3-methanamine,5-(2-fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-;5-(2-Fluorophenyl)-N-methyl-1-(3-pyridinylsulfonyl)-1H-pyrrole-3-methanamine;1-[5-(2-Fluorophenyl)-1-[(pyridin-3-yl)sulfonyl]-1H-pyrrol-3-yl]-N-methylmethanamine;Vonoprazan;TAK 438 free form
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

Description

TAK-438 (free base) is a novel P-CAB (potassium-competitive acid blocker) that reversibly inhibits H+/K+ ATPase with IC50 of 19 nM (pH 6.5), controls gastric acid secretion.IC50 value: 19 nM [1]Target: H+/K+ ATPasein vitro: TAK-438 is a pyrrole derivative with a chemical structure that is completely different from the P-CABs developed to date. TAK-438 inhibits gastric H+/K+ ATPase activity in a concentration-dependent manner. Under neutral conditions (pH 7.5), the inhibitory activity of

Vonoprazan is a member of pyrroles.|Vonoprazan has been used in trials studying the treatment of Erosive Esophagitis.

Vonoprazan Basic Attributes

Molecular Weight：

345.3912432

Exact Mass：

345.39

EC Number：

UNII：

1R5L3J156G

DSSTox ID：

DTXSID20236869

ATC Code：

A - Alimentary tract and metabolism

Characteristics

PSA：

72.4

XLogP3：

Density：

1.3±0.1 g/cm3

Boiling Point：

530.3±60.0°C at 760 mmHg

Flash Point：

274.5±32.9 °C

Refractive Index：

1.622

Drug Information

Drug Indication：

Treatment of gastroesophageal reflux disease, Treatment of Helicobacter pylori infection

MeSH Entry Terms：

1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine

Vonoprazan Use and Manufacturing

Use Classification：

Human Drugs -> EU pediatric investigation plans

Computed Properties

Molecular Weight:345.4
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:345.09472610
Monoisotopic Mass:345.09472610
Topological Polar Surface Area:72.4
Heavy Atom Count:24
Complexity:511
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine CAS No.881681-00-1

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