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Avasimibe (Standard)

CAT: 0804-HY-13215R-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13215R-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Avasimibe (Standard) is the analytical standard of Avasimibe. This product is intended for research and analytical applications. Avasimibe (CI-1011; PD-148515) is an orally active acyl coenzyme A-cholesterol acyltransferase (ACAT; also called SOAT) ) inhibitor with IC50s of 24 and 9.2 µM for ACAT1 and ACAT2, respectively[1]. Avasimibe can be used for the research of prostate cancer[2].
CAS Number
166518-60-1
UNSPSC
12352100
Target
Acyltransferase; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Smiles
O=C(NS(=O)(OC1=C(C(C)C)C=CC=C1C(C)C)=O)CC2=C(C(C)C)C=C(C(C)C)C=C2C(C)C
Molecular Formula
C29H43NO4S
Molecular Weight
501.72
References & Citations
[1]Taichi Ohshiro, et al. Pyripyropene A, an acyl-coenzyme A:cholesterol acyltransferase 2-selective inhibitor, attenuates hypercholesterolemia and atherosclerosis in murine models of hyperlipidemia. Arterioscler Thromb Vasc Biol. 2011 May;31 (5) :1108-15.|[2]Kangping Xiong, et al. The cholesterol esterification inhibitor avasimibe suppresses tumour proliferation and metastasis via the E2F-1 signalling pathway in prostate cancer.Cancer Cell Int. 2021 Aug 30;21 (1) :461.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Avasimibe

Avasimibe is a monoterpenoid.

CAS Number166518-60-1
PubChem CID166558
IUPAC Name[2,6-di(propan-2-yl)phenyl] N-[2-[2,4,6-tri(propan-2-yl)phenyl]acetyl]sulfamate
Molecular FormulaC29H43NO4S
Molecular Weight501.7
XLogP8.2
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity734
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)CC2=C(C=C(C=C2C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C29H43NO4S/c1-17(2)22-14-25(20(7)8)27(26(15-22)21(9)10)16-28(31)30-35(32,33)34-29-23(18(3)4)12-11-13-24(29)19(5)6/h11-15,17-21H,16H2,1-10H3,(H,30,31)
InChIKey
PTQXTEKSNBVPQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Avasimibe
CAS: 166518-60-1
CID: 166558
Formula: C29H43NO4S
MW: 501.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.7
XLogP38.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass501.29128003
Monoisotopic Mass501.29128003
Topological Polar Surface Area80.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity734
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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