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Details

Stereochemistry ACHIRAL
Molecular Formula C21H13ClF2N4O2
Molecular Weight 426.803
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AKP-001

SMILES

FC1=CC=C(C=C1)C2=NOC(NC(=O)CC3=C(Cl)C=CC=C3F)=C2C4=CC=NC=N4

InChI

InChIKey=OHMPXDCOVKOOAN-UHFFFAOYSA-N
InChI=1S/C21H13ClF2N4O2/c22-15-2-1-3-16(24)14(15)10-18(29)27-21-19(17-8-9-25-11-26-17)20(28-30-21)12-4-6-13(23)7-5-12/h1-9,11H,10H2,(H,27,29)

HIDE SMILES / InChI

Molecular Formula C21H13ClF2N4O2
Molecular Weight 426.803
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:20 UTC 2023
Edited
by admin
on Sat Dec 16 19:07:20 UTC 2023
Record UNII
M4VHS5O48Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AKP-001
Code English
BENZENEACETAMIDE, 2-CHLORO-6-FLUORO-N-(3-(4-FLUOROPHENYL)-4-(4-PYRIMIDINYL)-5-ISOXAZOLYL)-
Systematic Name English
2-(2-CHLORO-6-FLUORO-PHENYL)-N-(3-(4-FLUOROPHENYL)-4-PYRIMIDIN-4-YL-ISOXAZOL-5-YL)ACETAMIDE
Systematic Name English
Code System Code Type Description
CAS
897644-83-6
Created by admin on Sat Dec 16 19:07:20 UTC 2023 , Edited by admin on Sat Dec 16 19:07:20 UTC 2023
PRIMARY
PUBCHEM
11626055
Created by admin on Sat Dec 16 19:07:20 UTC 2023 , Edited by admin on Sat Dec 16 19:07:20 UTC 2023
PRIMARY
FDA UNII
M4VHS5O48Z
Created by admin on Sat Dec 16 19:07:20 UTC 2023 , Edited by admin on Sat Dec 16 19:07:20 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
5-((2-Chloro-6-fluorophenyl)acetylamino)-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole (AKP-001 Fig. 1) is a novel p38 MAPK inhibitor synthesized by ASKA Pharmaceutical Co. Ltd. that potently inhibits the ability of p38.ALPHA. and p38.BETA. to phosphorylate target proteins (IC50 = 10.9 and 326 nM, respectively). AKP-001 ameliorated experimental colitis induced by dextran sulfate sodium in mice and by 2,4,6-trinitrobenzene sulfonic acid in rats.
IC50
Related Record Type Details
ACTIVE MOIETY
Class: Antiulcer, Pyrazole; Mechanism of Action: Undefined mechanism; Highest Development Phase: Phase I for Inflammatory bowel diseases