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Anacetrapib-[13C6]

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General Information
Catalog: BLP-003311
Molecular Formula: C24[13C]6H25F10NO3
Molecular Weight: 643.46

Chemical Structure

Description	Labelled Anacetrapib. Anacetrapib (MK0859) is a potent, selective, reversible rhCETP and mutant CETP(C13S) inhibitor with IC50 of 7.9 nM and 11.8 nM, increases HDL-C and decreases LDL-C, does not increase aldosterone or blood pressure.
Synonyms	[13C6]-(4S,5R)-5-[3,5-bis(Trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-2-oxazolidinone; (4S,5S)-5-[3,5-bis(trifluoromethyl)(1,2,3,4,5,6-13C6)phenyl]-3-({2-[4-fluoro-2-methoxy-5-(propan-2-yl)phenyl]-5-(trifluoromethyl)phenyl}methyl)-4-methyl-1,3-oxazolidin-2-one
IUPAC Name	(4S,5R)-5-[3,5-bis(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-on
Related CAS	875446-37-0 (unlabelled)
Canonical SMILES	CC1C(OC(=O)N1CC2=C(C=CC(=C2)C(F)(F)F)C3=CC(=C(C=C3OC)F)C(C)C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1/i7+1,8+1,10+1,16+1,19+1,20+1
InChI Key	MZZLGJHLQGUVPN-FGVRCWMHSA-N
Solubility	Soluble in Ethanol
Appearance	White Solid