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(±) -PM 92131

CAT: 0013-GTR19272918-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272918-02Size:50 mg
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Description
(±) -PM 92131 is a non-nucleoside HIV-1 inhibitor. It demonstrates anti-HIV-1 activity, showing an IC50 of 45.7 μM and 53.8 μM against the HIV-1RF strain in XTT cell protection and syncytia formation assays, respectively. (±) -PM 92131 is applicable for research on HIV infections.
CAS Number
124070-99-1
Smiles
C[C@]12[C@@]3 ([C@@] (O3) (C (=O) [C@@H]1C=4C=COC4) [H]) C (C) (C) CCC2
Molecular Formula
C16H20O3
Molecular Weight
260.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PM 92131
CAS Number124070-99-1
PubChem CID180230
IUPAC Name(1aR,3R,3aR,7aR)-3-(furan-3-yl)-3a,7,7-trimethyl-3,4,5,6-tetrahydro-1aH-indeno[1,7a-b]oxiren-2-one
Molecular FormulaC16H20O3
Molecular Weight260.33
XLogP3
Topological Polar Surface Area42.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity443
SMILES
C[C@]12CCCC([C@]13[C@@H](O3)C(=O)[C@@H]2C4=COC=C4)(C)C
InChI
InChI=1S/C16H20O3/c1-14(2)6-4-7-15(3)11(10-5-8-18-9-10)12(17)13-16(14,15)19-13/h5,8-9,11,13H,4,6-7H2,1-3H3/t11-,13-,15+,16+/m0/s1
InChIKey
AZKOQQKZUKXDQR-DDUYRFODSA-N
Chemical Structure
2D Structure
2D structure of PM 92131
CAS: 124070-99-1
CID: 180230
Formula: C16H20O3
MW: 260.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.33
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass260.14124450
Monoisotopic Mass260.14124450
Topological Polar Surface Area42.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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