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CP 461

CAT: 0013-GTR19194989-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194989-01Size:1 mg
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Description
CP 461 (UNII-68OJX9I7DT) is a selective PDE2A inhibitor that induces apoptosis in various human cancer cell lines in vitro while sparing normal cells. Its research applications include studying cyclic nucleotide signaling in oncology and exploring its potential in preclinical cancer models.
CAS Number
227619-96-7
Product Name Alternative
Apoptosis, CP 461, CP461, CP-461, PDE2, UNII-68OJX9I7DT, OSI 461, OSI461, OSI-461
Field of Research
Cell Biology, Metabolism Research, Signal Transduction
Purity
99.55% (May vary between batches)
Solubility
DMSO:16.67 mg/mL (39.6 mM)
Smiles
C (C (NCC1=CC=CC=C1) =O) C=2C=3C (/C (=C\C=4C=CN=CC4) /C2C) =CC=C (F) C3.Cl
Molecular Formula
C25H22ClFN2O
Molecular Weight
420.91
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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