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1262849-73-9

中文名稱 (3R,4S)-4-[[2-(5-氟-2-羥基苯基)-6,7-二甲氧基-4-喹唑啉基]氨基]-ALPHA,ALPHA-二甲基-3-吡咯烷甲醇
英文名稱 CCT241533
CAS 1262849-73-9
分子式 C23H27FN4O4
分子量 442.483
MOL 文件 1262849-73-9.mol
1262849-73-9 結(jié)構(gòu)式 1262849-73-9 結(jié)構(gòu)式

基本信息

中文別名
(3R,4S)-4-[[2-(5-氟-2-羥基苯基)-6,7-二甲氧基-4-喹唑啉基]氨基]-ALPHA,ALPHA-二甲基-3-吡咯烷甲醇
英文別名
CS-198
CCT241533
CCT241533 (CCT 241533
3-Pyrrolidinemethanol, 4-[[2-(5-fluoro-2-hydroxyphenyl)-6,7-dimethoxy-4-quinazolinyl]amino]-α,α-dimethyl-, (3R,4S)-
(3R,4S)-4-[[2-(5-Fluoro-2-hydroxyphenyl)-6,7-dimethoxy-4-quinazolinyl]amino]-alpha,alpha-dimethyl-3-pyrrolidinemethanol
所屬類別
生物化工:激動(dòng)劑抑制劑

物理化學(xué)性質(zhì)

沸點(diǎn)569.4±50.0 °C(Predicted)
密度1.327
儲(chǔ)存條件-20°C儲(chǔ)存
溶解度溶于二甲基亞砜
酸度系數(shù)(pKa)8.18±0.48(Predicted)
形態(tài)結(jié)晶固體
顏色White to off-white

安全數(shù)據(jù)

危險(xiǎn)性符號(hào)(GHS)有害 (GHS07)
GHS07
警示詞警告
危險(xiǎn)性描述H302-H315-H319-H335

常見問題列表

生物活性
CCT241533 是有效,選擇性的 CHK2 抑制劑,IC50 和 Ki 分別為 3 nM 和 1.16 nM。
靶點(diǎn)

Chk2

3 nM (IC 50 )

Chk1

245 nM (IC 50 )

Chk2

1.16 nM (Ki)

體外研究

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).

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