Ezetimibe

CAT: 0013-GTR19174302-01Size: 20 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19174302-01Size:20 mg

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Description

Ezetimibe (SCH 58235) is a potent and selective inhibitor of dietary cholesterol absorption, acting locally within the intestinal brush border. This small molecule is widely used in research to investigate lipid metabolism, atherosclerosis, and metabolic diseases in both in vitro cellular assays and in vivo animal models.

CAS Number

163222-33-1

Product Name Alternative

SCH 58235; Ezetrol

Field of Research

Cell Biology, Neuroscience

Purity

>98%

Bioactivity

Cholesterol absorption inhibitor

Form

Powder

Solubility

Soluble in DMSO (up to 25 mg/ml) or in Ethanol (up to 15 mg/ml) .

Smiles

C (C[C@H] (O) C1=CC=C (F) C=C1) [C@@H]2[C@H] (N (C2=O) C3=CC=C (F) C=C3) C4=CC=C (O) C=C4

Molecular Formula

C24H21F2NO3

Molecular Weight

409.43

Storage Conditions

Notes

For research use only.

Other Product Names

(3R,4S) -1- (4-Fluorophenyl) -3-[ (3S) -3- (4-fluorophenyl) -3-hydroxypropyl]-4- (4-hydroxyphenyl) azetidine-2-one

Chemical Information

Ezetimibe

Ezetimibe is a beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer). It has a role as an antimetabolite, an antilipemic drug and an anticholesteremic drug. It is a beta-lactam, an organofluorine compound and a member of azetidines.

CAS Number	163222-33-1
PubChem CID	150311
IUPAC Name	(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
Molecular Formula	C24H21F2NO3
Molecular Weight	409.4
XLogP	4
Topological Polar Surface Area	60.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	567

SMILES

C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O

InChI

InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1

InChIKey

OLNTVTPDXPETLC-XPWALMASSA-N

Chemical Structure

2D Structure

CAS: 163222-33-1

CID: 150311

Formula: C24H21F2NO3

MW: 409.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	409.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	409.14894986
Monoisotopic Mass	409.14894986
Topological Polar Surface Area	60.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	567
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-17376-01	Ezetimibe

Ezetimibe

Chemical Information

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