CPI-455 HCl - ≥99% , CAS No.2095432-28-1

CAS: 2095432-28-1 Cat. No.: C413962 Fórmula: C₁₆H₁₅ClN₄O Peso molecular: 314.77 PubChem CID: 129896721

GRADE & PURITY ≥99%

Synonyms

4,​7-​dihydro-​6-​(1-​methylethyl)​-​7-​oxo-​5-​phenyl-Pyrazolo[1,​5-​a]​pyrimidine-​3-​carbonitrile hydrochloride | 6-isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

CPI-455 HCl CPI-455 is a specific KDM5 inhibitor with a half-maximal inhibitory concentration (IC50) of 10 ± 1 nM for full-length KDM5A in enzymatic assays, elevating global levels of H3K4 trimethylation (H3K4me3) and decreased the number of DTPs in multiple cancer cell line models treated with standard chemotherapy or targeted agents.

Targets

KDM5A (Cell-free assay) 10 nM

In vitro

CPI-455 has improved potency against KDM5A while demonstrating ~200-fold selectivity for KDM5A over KDM4C. CPI-455 inhibits KDM5A, KDM5B and KDM5C to similar extents but showed substantially weaker potency toward KDM4C and KDM7B (~200- and 770-fold, respectively) and no measurable inhibition of KDM2B, KDM3B or KDM6A. CPI-455-mediated KDM5 inhibition results in a dose-dependent increase in global H3K4me3 in HeLa cells. CPI-455 specifically alters H3K4 methylation in cells and binds at the demethylase active site.

Cell Research(from reference)

Cell lines：melanoma (M14), breast cancer (SKBR3) and NSCLC (PC9) cell lines 

Concentrations：0-25 μM 

Incubation Time：14-20 days 

Specifications

Sinónimos

4,​7-​dihydro-​6-​(1-​methylethyl)​-​7-​oxo-​5-​phenyl-Pyrazolo[1,​5-​a]​pyrimidine-​3-​carbonitrile hydrochloride | 6-isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile hydrochloride

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

CPI-455 is a specific KDM5 inhibitor with a half-maximal inhibitory concentration (IC50) of 10 ± 1 nM for full-length KDM5A in enzymatic assays, elevating global levels of H3K4 trimethylation (H3K4me3) and decreased the number of DTPs in multiple cancer c

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Propriedades do produto

ALogP

3.195

Contagem HBD

1

Ligação rotativa

2

Nomes e identificadores

Pubchem Sid

504773063

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773063

Sorrisos canónicos

CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3.Cl

IUPAC Name

7-oxo-5-phenyl-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride

InChIKey

SNODPNXOTKXHHH-UHFFFAOYSA-N

INCHI

1S/C16H14N4O.ClH/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21;/h3-7,9-10,18H,1-2H3;1H

PubChem CID

129896721

Peso molecular

314.77

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: Insoluble; Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 10
• DMSO (mM) Solubilidade máxima: 31.76922833
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 314.770 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 314.093 Da
• Monoisotopic Mass: 314.093 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 611.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3