Anacetrapib

CAT: 0127-BUP15326-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15326-04Size:50 mg

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CAS Number

875446-37-0

Synonyms

MK-0859

Purity

=95%

Smiles

COc1cc(F)c(cc1-c1ccc(cc1CN1[C@@H](C)[C@H](OC1=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(C)C

Chemical Information

Anacetrapib

Anacetrapib is a cholesteryl ester transfer protein (CETP) inhibitor with hypocholesterolemic properties. Anacetrapib reduces the transfer of cholesteryl ester from HDL to LDL and/or VLDL thereby, producing an increase in serum HDL-cholesterol levels and a decrease in serum LDL-cholesterol levels. This agent has not yet been shown to reduce deaths associated with hypercholesterolemia.

CAS Number	875446-37-0
PubChem CID	11556427
IUPAC Name	(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
Molecular Formula	C30H25F10NO3
Molecular Weight	637.5
XLogP	8.8
Topological Polar Surface Area	38.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Heavy Atom Count	44
Formal Charge	0
Complexity	964

SMILES

C[C@H]1[C@H](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

InChIKey

MZZLGJHLQGUVPN-HAWMADMCSA-N

Chemical Structure

2D Structure

CAS: 875446-37-0

CID: 11556427

Formula: C30H25F10NO3

MW: 637.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	637.5
XLogP3	8.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Exact Mass	637.16747528
Monoisotopic Mass	637.16747528
Topological Polar Surface Area	38.8 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	964
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
RM-A317000-01	Anacetrapib
sc-479544	Anacetrapib-d3
HY-12090R-01	Anacetrapib (Standard)
A11084-10	Anacetrapib 10mg
A11084-5	Anacetrapib 5mg
2531-1	EZSolution™ Anacetrapib
A11084-100	Anacetrapib 100mg
A11084-50	Anacetrapib 50mg
A4375-50	Anacetrapib (MK-0859)
SD7216-10mM	Anacetrapib (CETP inhibitor)

Anacetrapib

Chemical Information

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