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BIBB 515

CAT: 0931-T4039-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T4039-02Size:5 mg
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CAS Number
156635-05-1
Target
Others, LDLR
Related Pathways
Others, Metabolism
Purity
0.9968
Bioactivity
BIBB 515 is a selective and potent inhibitor of OSC in vivo with an ED50 value of 0.2-0.5 and 0.36-33.3 mg/kg in rats and mice, respectively. 2, 3-Oxidosqualene cyclase (OSC) is an important enzyme in the biosynthesis of animal, plant, and fungal sterols. OSC catalyzes the conversion of (3S) -2, 3-oxidosqualene to lanosterol, a precursor to cholesterol, in mammals and fungi. Total cholesterol was reduced by 19% in normolipemic hamsters at a dose of 55 mg/kg/day for 11 days and 25% in hyperlipemic hamsters at a dose of 148 mg/kg/day for 25 days.
Smiles
Clc1ccc(cc1)C(=O)N1CCC(CC1)=Cc1ccc(cc1)C1=NCCO1
Molecular Formula
C22H21ClN2O2
Molecular Weight
380.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bibb-515

inhibits 2,3-oxidosqualene cyclase; structure in first source

CAS Number156635-05-1
PubChem CID501398
IUPAC Name(4-chlorophenyl)-[4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methylidene]piperidin-1-yl]methanone
Molecular FormulaC22H21ClN2O2
Molecular Weight380.9
XLogP3.8
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity577
SMILES
C1CN(CCC1=CC2=CC=C(C=C2)C3=NCCO3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H21ClN2O2/c23-20-7-5-19(6-8-20)22(26)25-12-9-17(10-13-25)15-16-1-3-18(4-2-16)21-24-11-14-27-21/h1-8,15H,9-14H2
InChIKey
JQNWPWUJMRAASQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bibb-515
CAS: 156635-05-1
CID: 501398
Formula: C22H21ClN2O2
MW: 380.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight380.9
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass380.1291556
Monoisotopic Mass380.1291556
Topological Polar Surface Area41.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity577
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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