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1481677-78-4

中文名稱 2-(4,4-二氟-1-哌啶基)-6-甲氧基-N-[1-異丙基-4-哌啶基]-7-[3-(1-吡咯烷基)丙氧基]-4-喹唑啉胺
英文名稱 UNC-0642
CAS 1481677-78-4
分子式 C29H44F2N6O2
分子量 546.7
MOL 文件 1481677-78-4.mol
更新日期 2024/12/23 17:38:55
1481677-78-4 結(jié)構(gòu)式 1481677-78-4 結(jié)構(gòu)式

基本信息

中文別名
化合物UNC0642
G9A和GLP抑制劑(UNC0642)
2-(4,4-二氟-1-哌啶基)-6-甲氧基-N-[1-異丙基-4-哌啶基]-7-[3-(1-吡咯烷基)丙氧基]-4-喹唑啉胺
英文別名
CS-1714
UNC0642
UNC 0642
UNC-0642
UNC-0642
UNC0642
UNC 0642
2-(4,4-difluoropiperidin-1-yl)-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
2-(4,4-Difluoropiperidin-1-yl)-6-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-amine
2-(4,4-Difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine
4-Quinazolinamine, 2-(4,4-difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-
UNC0642, 2-(4,4-Difluoro-1-piperidinyl)-6-Methoxy-N-[1-(1-Methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinaMine
所屬類別
生物化工:激動劑抑制劑

物理化學(xué)性質(zhì)

沸點679.2±65.0 °C(Predicted)
密度1.23±0.1 g/cm3(Predicted)
儲存條件2-8°C
溶解度Soluble to 100 mM in DMSO and to 50 mM in 1eq. HCl
酸度系數(shù)(pKa)10.06±0.20(Predicted)
形態(tài)粉末
顏色白色至米色

安全數(shù)據(jù)

危險性符號(GHS)GHS hazard pictograms
GHS07
警示詞警告
危險性描述H302
WGK Germany3

常見問題列表

生物活性
UNC0642是有效,選擇性的賴氨酸甲基轉(zhuǎn)移酶 G9a 和 GLP 抑制劑, 抑制 G9a 的IC50 值小于2.5 nM。
靶點

IC50: <2.5 nM (G9a)

體外研究

UNC0642 displays high in vitro and cellular potency, low cell toxicity, and excellent selectivity. UNC0642 is competitive with the peptide substrate and non-competitive with the cofactor SAM. The K i of UNC0642 is determined to be 3.7±1 nM. UNC0642 displays high in vitro potency for GLP (IC 50 < 2.5 nM), similar to G9a. UNC0642 is more than 300-fold selective for G9a and GLP over a broad range of kinases, GPCRs, transporters, and ion channels. UNC0642 exhibits high potency at reducing the H3K9me2 mark, low cell toxicity, and good separation of functional potency and cell toxicity in a number of cell lines. It reduces clonogenicity in PANC-1 cells, a pancreatic carcinoma cell line.

體內(nèi)研究

A single intraperitoneal (IP) injection (5 mg/kg) of UNC0642 results in a plasma C max (maximum concentration) of 947 ng/mL and an AUC (area under the curve) of 1265 hr*ng/mL.

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