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Pyripyropene B

CAT: 0013-GTR19255324-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255324-02Size:50 mg
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Description
Pyripyropene B is a potent inhibitor of acyl-CoA:cholesterol acyltransferase 2 (ACAT2) . It effectively inhibits acyl-CoA:cholesterol acyltransferase with an IC50 of 117 nM.
CAS Number
151519-44-7
Field of Research
Metabolism Research
Smiles
C[C@@]12[C@@]3 ([C@@] (C) ([C@@H] (OC (C) =O) C[C@]1 ([C@@] (COC (CC) =O) (C) [C@@H] (OC (C) =O) CC2) [H]) OC4=C ([C@@H]3O) C (=O) OC (=C4) C=5C=CC=NC5) [H]
Molecular Formula
C32H39NO10
Molecular Weight
597.653
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyripyropene B

Pyripyropene B is a 1-hydroxy steroid.

CAS Number151519-44-7
PubChem CID192539
IUPAC Name(5,9-diacetyloxy-18-hydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl propanoate
Molecular FormulaC32H39NO10
Molecular Weight597.7
XLogP2.9
Topological Polar Surface Area148
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity1240
SMILES
CCC(=O)OCC1(C(CCC2(C1CC(C3(C2C(C4=C(O3)C=C(OC4=O)C5=CN=CC=C5)O)C)OC(=O)C)C)OC(=O)C)C
InChI
InChI=1S/C32H39NO10/c1-7-25(36)39-16-31(5)22-14-24(41-18(3)35)32(6)28(30(22,4)11-10-23(31)40-17(2)34)27(37)26-21(43-32)13-20(42-29(26)38)19-9-8-12-33-15-19/h8-9,12-13,15,22-24,27-28,37H,7,10-11,14,16H2,1-6H3
InChIKey
HQJYCJFUVSNJFK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyripyropene B
CAS: 151519-44-7
CID: 192539
Formula: C32H39NO10
MW: 597.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.7
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass597.25739644
Monoisotopic Mass597.25739644
Topological Polar Surface Area148 Ų
Heavy Atom Count43
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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