Name: Name:TAK-438
Brand: AABLOCKS
SKU: AA000QOG
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA000QOG

Chemical Name: TAK-438

CAS Number: 1260141-27-2

Molecular Formula: C21H20FN3O6S

Molecular Weight: 461.4634

MDL Number: MFCD18633280

SMILES: OC(=O)C=CC(=O)O.CNCc1cc(n(c1)S(=O)(=O)c1cccnc1)c1ccccc1F

Properties

Complexity: 629

Covalently-Bonded Unit Count: 2

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 1

Formal Charge: 0

Heavy Atom Count: 32

Hydrogen Bond Acceptor Count: 9

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 7

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Literature fold

Title: Discovery of a novel pyrrole derivative 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine fumarate (TAK-438) as a potassium-competitive acid blocker (P-CAB).

Journal: Journal of medicinal chemistry20120510

Title: High-throughput screening of potassium-competitive acid blockers.

Journal: Journal of biomolecular screening20120201

Title: Characterization of a novel potassium-competitive acid blocker of the gastric H,K-ATPase, 1-[5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine monofumarate (TAK-438).

Journal: The Journal of pharmacology and experimental therapeutics20111101

Title: A study comparing the antisecretory effect of TAK-438, a novel potassium-competitive acid blocker, with lansoprazole in animals.

Journal: The Journal of pharmacology and experimental therapeutics20110601

Title: A comparative study on the modes of action of TAK-438, a novel potassium-competitive acid blocker, and lansoprazole in primary cultured rabbit gastric glands.

Journal: Biochemical pharmacology20110501

Title: 1-[5-(2-Fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine monofumarate (TAK-438), a novel and potent potassium-competitive acid blocker for the treatment of acid-related diseases.

Journal: The Journal of pharmacology and experimental therapeutics20101001

1260141-27-2 | TAK-438