U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31F9N4O5
Molecular Weight 722.598
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Obicetrapib

SMILES

CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=NC=C(OCCCC(O)=O)C=N3)C4=C1C=CC(=C4)C(F)(F)F

InChI

InChIKey=NRWORBQAOQVYBJ-GJZUVCINSA-N
InChI=1S/C32H31F9N4O5/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47)/t22-,26+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Obicetrapib
INN   WHO-DD  
USAN   INN  
Official Name English
obicetrapib [INN]
Preferred Name English
4-{[2-({[3,5-bis(trifluoromethyl)phenyl]methyl}[(2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino)pyrimidin-5-yl]oxy}butanoic acid
Systematic Name English
OBICETRAPIB [USAN]
Common Name English
DEZ-001
Code English
AMG-899
Code English
1-Ethyl (2R,4S)-4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][5-(3-carboxypropoxy)-2-pyrimidinyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-1(2H)-quinolinecarboxylate
Systematic Name English
(2R,4S)-4-[[3,5-Bis(trifluoromethyl)benzyl][5-(3-carboxypropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester
Systematic Name English
1(2H)-Quinolinecarboxylic acid, 4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][5-(3-carboxypropoxy)-2-pyrimidinyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-ethyl ester, (2R,4S)-
Systematic Name English
TA-8995
Code English
Obicetrapib [WHO-DD]
Common Name English
Code System Code Type Description
USAN
MN-42
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY
PUBCHEM
11498596
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY
INN
9979
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY
DRUG BANK
DB14890
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY
NCI_THESAURUS
C175167
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY
SMS_ID
100000174646
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY
FDA UNII
8O74K609HN
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY
CAS
866399-87-3
Created by admin on Mon Mar 31 21:56:33 GMT 2025 , Edited by admin on Mon Mar 31 21:56:33 GMT 2025
PRIMARY