CCT241533 hydrochloride - ≥99% , CAS No.1431697-96-9

CAS: 1431697-96-9 Cat. No.: C647075 Fórmula: C₂₃H₂₈ClFN₄O₄ Peso molecular: 478.94 PubChem CID: 136218645

GRADE & PURITY ≥99%

Synonyms

A908287 | 1431697-96-9 | CCT241533 (hydrochloride) | HY-14715B | F84890 | AKOS030526529 | 4-Fluoro-2-(4-(((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl)amino)-6,7-dimethoxyquinazolin-2-yl)phenol hydrochloride | 4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Visão geral

CCT241533 hydrochloride is a potent and selective CHK2 inhibitor with an IC 50 of 3 nM and a K i of 1.16 nM

In Vitro

CCT241533 hydrochloride inhibits CHK2 with an IC 50 of 3 nM and shows minimal cross reactivity against a panel of kinases at 1 μM. X-ray crystallography confirms that CCT241533 binds to CHK2 in the ATP pocket. CCT241533 blocks CHK2 activity in human tumor cell lines in response to DNA damage, as demonstrated by inhibition of CHK2 autophosphorylation at S516, band-shift mobility changes and HDMX degradation. CCT241533 does not potentiate the cytotoxicity of a selection of genotoxic agents in several cell lines. However, CCT241533 significantly potentiates the cytotoxicity of two structurally distinct PARP inhibitors. Clear induction of the pS516 CHK2 signal is seen with a PARP inhibitor alone and this activation is abolished by CCT241533. The cytotoxicity of CCT241533 in HT-29, HeLa and MCF-7, measured as the growth inhibitory IC 50 (GI 50 ) by SRB assay, is 1.7, 2.2 and 5.1 μM, respectively. CCT241533 hydrochloride is a potent CHK2 inhibitor (IC 50 =3 nM), with selectivity (63-fold) over CHK1(IC 50 =190 nM) and low hERG inhibition (IC 50 =22 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Chk2 3 nM (IC 50 ) Chk1 245 nM (IC 50 ) Chk2 1.16 nM (Ki)

Specifications

Sinónimos

A908287 | 1431697-96-9 | CCT241533 (hydrochloride) | HY-14715B | F84890 | AKOS030526529 | 4-Fluoro-2-(4-(((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl)amino)-6,7-dimethoxyquinazolin-2-yl)phenol hydrochloride | 4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

CCT241533 hydrochloride is a potent and selective CHK2 inhibitor with an IC 50 of 3 nM and a K i of 1.16 nM.

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

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

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC(C)(C1CNCC1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O.Cl

IUPAC Name

4-fluoro-2-[4-[[(3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3-yl]amino]-6,7-dimethoxyquinazolin-2-yl]phenol;hydrochloride

InChIKey

LAKJUTZIXHTMPC-SSPJITILSA-N

INCHI

1S/C23H27FN4O4.ClH/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29;/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28);1H/t15-,17-;/m1./s1

SMILES isoméricas

CC(C)([C@@H]1CNC[C@H]1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O.Cl

CAS alternativo

1431697-96-9

PubChem CID

136218645

Peso molecular

478.94

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 100 mg/mL (208.79 mM) H2O : 33.33 mg/mL (69.59 mM; Need ultrasonic)
• Peso molecular: 478.900 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 478.178 Da
• Monoisotopic Mass: 478.178 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 629.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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