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Details

Stereochemistry ACHIRAL
Molecular Formula C27H32O4
Molecular Weight 420.5406
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of 13-CIS-12-(3'-CARBOXYPHENYL)RETINOIC ACID

SMILES

CC(\C=C\C1=C(C)CCCC1(C)C)=C/C=C(/C(C)=C\C(O)=O)C2=CC(=CC=C2)C(O)=O

InChI

InChIKey=XKKDQOHDTASHCE-PAZAWXFKSA-N
InChI=1S/C27H32O4/c1-18(12-14-24-19(2)8-7-15-27(24,4)5)11-13-23(20(3)16-25(28)29)21-9-6-10-22(17-21)26(30)31/h6,9-14,16-17H,7-8,15H2,1-5H3,(H,28,29)(H,30,31)/b14-12+,18-11+,20-16-,23-13-

HIDE SMILES / InChI

Molecular Formula C27H32O4
Molecular Weight 420.5406
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 4
Optical Activity NONE

BMS-181162, a retinoid derivative, is a phospholipase A2 inhibitor. It was in clinical trials in the treatment of inflammatory diseases, atopic dermatitis, and psoriasis.

Approval Year

PubMed

PubMed

TitleDatePubMed

Sample Use Guides

In Vitro Use Guide
BMS-181162 reversibly inhibited phospholipase A2 purified from human synovial fluid with an IC50 of 8 microns. In A23187-stimulated human polymorphonuclear leukocytes, BMS-181162 blocked arachidonic acid release with an IC50 of 10 microns. Leukotriene B4 biosynthesis in these cells was also inhibited.
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:51:19 GMT 2023
Edited
by admin
on Fri Dec 15 15:51:19 GMT 2023
Record UNII
Y8U3B6ZM8D
Record Status Validated (UNII)
Record Version
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Name Type Language
13-CIS-12-(3'-CARBOXYPHENYL)RETINOIC ACID
Common Name English
BMS-181162
Code English
Code System Code Type Description
PUBCHEM
6438744
Created by admin on Fri Dec 15 15:51:19 GMT 2023 , Edited by admin on Fri Dec 15 15:51:19 GMT 2023
PRIMARY
CAS
141948-79-0
Created by admin on Fri Dec 15 15:51:19 GMT 2023 , Edited by admin on Fri Dec 15 15:51:19 GMT 2023
PRIMARY
FDA UNII
Y8U3B6ZM8D
Created by admin on Fri Dec 15 15:51:19 GMT 2023 , Edited by admin on Fri Dec 15 15:51:19 GMT 2023
PRIMARY
DRUG BANK
DB14097
Created by admin on Fri Dec 15 15:51:19 GMT 2023 , Edited by admin on Fri Dec 15 15:51:19 GMT 2023
PRIMARY
Related Record Type Details
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