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Cholesterol absorption inhibitor 1

CAT: 0804-HY-45131-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-45131-01Size:1 g
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Description
Cholesterol absorption inhibitor 1 (compound 21) is a cholesterol absorption inhibitor that reduces liver cholesteryl ester[1].
CAS Number
190595-65-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Type
Reference compound
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/cholesterol-absorption-inhibitor-1.html
Purity
98.66
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1N(C2=CC=C(F)C=C2)[C@H](C3=CC=C(OCC4=CC=CC=C4)C=C3)[C@H]1CCC(C5=CC=C(F)C=C5)=O
Molecular Formula
C31H25F2NO3
Molecular Weight
497.53
Precautions
H302, H315, H319, H335
References & Citations
[1]S B Rosenblum, et al. Discovery of 1- (4-fluorophenyl) - (3R) -[3- (4-fluorophenyl) - (3S) -hydroxypropyl]- (4S) - (4 -hydroxyphenyl) -2-azetidinone (SCH 58235) : a designed, potent, orally active inhibitor of cholesterol absorption. J Med Chem. 1998 Mar 12;41 (6) :973-80.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one
CAS Number190595-65-4
PubChem CID10720110
IUPAC Name(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
Molecular FormulaC31H25F2NO3
Molecular Weight497.5
XLogP5.9
Topological Polar Surface Area46.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity748
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CCC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C31H25F2NO3/c32-24-10-6-22(7-11-24)29(35)19-18-28-30(34(31(28)36)26-14-12-25(33)13-15-26)23-8-16-27(17-9-23)37-20-21-4-2-1-3-5-21/h1-17,28,30H,18-20H2/t28-,30-/m1/s1
InChIKey
BVYNXBNCXPJQCW-PQHLKRTFSA-N
Chemical Structure
2D Structure
2D structure of (3R,4S)-4-(4-(Benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)azetidin-2-one
CAS: 190595-65-4
CID: 10720110
Formula: C31H25F2NO3
MW: 497.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.5
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass497.18024998
Monoisotopic Mass497.18024998
Topological Polar Surface Area46.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity748
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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1061125Heat Absorption and Radiation
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