Basic information
- CAS
326823-27-2- Standard SMILES
O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)[nH]n1- InChIKey
RIGZCVNCFXYBEG-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.13716217
Overview
N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide is a solid. This compound belongs to the naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. The proteins that N-(3-cyclopropyl-1H-pyrazol-5-yl)-2-(2-naphthyl)acetamide targets include cyclin-A2 and cyclin-dependent kinase 2.
Names & identifiers
- Preferred name
- Pnu-292137
- IUPAC
- N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylacetamide
- English name
- 2-Naphthaleneacetamide, N-(5-cyclopropyl-1H-pyrazol-3-yl)-
- Molecular formula
- C18H17N3O
- Molecular weight
- 291.35
Names & synonyms
PNU-292137326823-27-2CPN-acetamideN-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-(2-naphthyl)acetamide64H5U84UFB2-Naphthaleneacetamide, N-(5-cyclopropyl-1H-pyrazol-3-yl)-RefChem:826542UNII-64H5U84UFBN-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDEN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylacetamidePNU-292137 INHIBITOR1vyw
Show more names
PNU292137PNU 292137
BDBM7108CHEMBL115220orb1699610SCHEMBL5867410SCHEMBL12589642GLXC-20735N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(naphthalen-2-yl)acetamideAKOS040749224
Database identifiers
- CAS
326823-27-2- PubChem CID
- 449087
- ChEMBL
CHEMBL115220- UNII
- 64H5U84UFB
- Nikkaji
- J2.135.382E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 621.7 · 621.7±50.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 13.44 · 13.44±0.10(Predicted)
- FDA UNII
- 64 H5U84UFB · 64H5U84UFB
Chemistry & industry
Applications
UsesPNU-292137 is an orally active, potent CDK2 inhibitor with IC50s of 37 nM and 92 nM for CDK2/cyclin A and CDK2/cyclin E, respectively. PNU-292137 makes interactions with the hydrophobic pocket at the back of the CDK2 ATP pocket. PNU-292137 efficiently inhibits tumor cell proliferation in human colon and prostate tumor cell lines. PNU-292137 exhibits antitumor activity (TGI>50%) in a mouse xenograft model[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
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Compound notes
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