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Details

Stereochemistry ACHIRAL
Molecular Formula C29H28Cl2F2N2O4S
Molecular Weight 609.511
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-852927

SMILES

CC(C)(O)C1=CN(C(=N1)C(C)(C)C2=C(Cl)C=CC=C2Cl)C3=CC=C(C=C3F)C4=CC(=C(CO)C(F)=C4)S(C)(=O)=O

InChI

InChIKey=HNAJDMYOTDNOBK-UHFFFAOYSA-N
InChI=1S/C29H28Cl2F2N2O4S/c1-28(2,26-19(30)7-6-8-20(26)31)27-34-25(29(3,4)37)14-35(27)23-10-9-16(11-22(23)33)17-12-21(32)18(15-36)24(13-17)40(5,38)39/h6-14,36-37H,15H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C29H28Cl2F2N2O4S
Molecular Weight 609.511
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 11:40:26 GMT 2023
Edited
by admin
on Sat Dec 16 11:40:26 GMT 2023
Record UNII
H9649L8MZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-852927
Common Name English
XL-041
Code English
EXEL-04541041
Code English
2-(2-(1-(2,6-DICHLOROPHENYL)-1-METHYL-ETHYL)-1-(2-FLUORO-4-(3-FLUORO-4-(HYDROXYMETHYL)-5-METHYLSULFONYL-PHENYL)PHENYL)IMIDAZOL-4-YL)PROPAN-2-OL
Systematic Name English
XL-652
Code English
1H-IMIDAZOLE-4-METHANOL, 2-(1-(2,6-DICHLOROPHENYL)-1-METHYLETHYL)-1-(3,3'-DIFLUORO-4'-(HYDROXYMETHYL)-5'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)-.ALPHA.,.ALPHA.-DIMETHYL-
Systematic Name English
Code System Code Type Description
SMS_ID
300000042392
Created by admin on Sat Dec 16 11:40:26 GMT 2023 , Edited by admin on Sat Dec 16 11:40:26 GMT 2023
PRIMARY
CAS
1256918-39-4
Created by admin on Sat Dec 16 11:40:26 GMT 2023 , Edited by admin on Sat Dec 16 11:40:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545047
Created by admin on Sat Dec 16 11:40:26 GMT 2023 , Edited by admin on Sat Dec 16 11:40:26 GMT 2023
PRIMARY
PUBCHEM
49787490
Created by admin on Sat Dec 16 11:40:26 GMT 2023 , Edited by admin on Sat Dec 16 11:40:26 GMT 2023
PRIMARY
FDA UNII
H9649L8MZN
Created by admin on Sat Dec 16 11:40:26 GMT 2023 , Edited by admin on Sat Dec 16 11:40:26 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY
Drugs: BMS 852927(Primary), HMG-CoA reductase inhibitors; Indication: Hypercholesterolaemia; Focus: Adverse reactions, Therapeutic Use; Most Recent Events: 01 Jun 2013 Status changed from not yet recruiting to discontinued as reported by ClinicalTrials.gov record., 01 Aug 2012 New trial record
ACTIVE MOIETY
BMS-852927 (formerly XL041); Company: Exelixis Inc.; Description: Small molecule modulator of the Liver X receptor (LXR); Molecular Target: Liver X receptor (LXR); Therapeutic Modality: Small molecule; Latest Stage of Development: Phase I; Standard Indication: Metabolic syndrome; Indication Details: Treat metabolic syndrome; Partner: Bristol-Myers Squibb Co.