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CP 461

CAT: 1410-M34553-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34553-02Size:5 mg
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Description
CP 461 (UNII-68OJX9I7DT), a specific PDE2A inhibitor, is a novel pro-apoptotic compound that inhibits cyclic GMP phosphodiesterase but not cyclooxygenase-1 or -2. CP 461 inhibits the growth of a variety of human tumor cell lines in vitro and selectively induces apoptosis in cancer cell lines, but not in normal cells.
CAS Number
227619-96-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
420.91
Molecular Formula
C25H22ClFN2O
Notes
Research use only, not for human use.
Receptor
Apoptosis | PDE

Chemical Information

(1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)

OSI-461 is a second-generation molecule belonging to a new class of drugs termed selective apoptotic anti-neoplastic drugs (SAANDs).

CAS Number227619-96-7
PubChem CID6445781
IUPAC NameN-benzyl-2-[(3Z)-6-fluoro-2-methyl-3-(pyridin-4-ylmethylidene)inden-1-yl]acetamide;hydrochloride
Molecular FormulaC25H22ClFN2O
Molecular Weight420.9
Topological Polar Surface Area42
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity643
SMILES
CC\1=C(C2=C(/C1=C\C3=CC=NC=C3)C=CC(=C2)F)CC(=O)NCC4=CC=CC=C4.Cl
InChI
InChI=1S/C25H21FN2O.ClH/c1-17-22(13-18-9-11-27-12-10-18)21-8-7-20(26)14-24(21)23(17)15-25(29)28-16-19-5-3-2-4-6-19;/h2-14H,15-16H2,1H3,(H,28,29);1H/b22-13-;
InChIKey
KGXPDNOBLLACKL-BWLGBDCWSA-N
Chemical Structure
2D Structure
2D structure of (1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)
CAS: 227619-96-7
CID: 6445781
Formula: C25H22ClFN2O
MW: 420.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight420.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass420.1404692
Monoisotopic Mass420.1404692
Topological Polar Surface Area42 Ų
Heavy Atom Count30
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes