CAS: 1320288-19-4; N-(1-(Cyclohexylmethyl)Piperidin-4-yl)-2-(4-Isopropyl-1,4-Diazepan-1-yl)-6-Methoxy-7-(3-(Piperidin-1-yl)Propoxy)Quinazolin-4-Amine
该化合物是一个小分子,主要作为蛋白淋巴素特定脱甲基酶1(LSD1)的选择性抑制剂.该化合物在基因调节方面起着显著的作用,特别是在基因表达调控方面.UNC-0631显示LSD1具有高度的特性,它涉及对脊髓髓灰质素残留进行脱甲基,从而影响染色素结构和基因转录.UNC-0631对LSD1的抑制,在各种生物过程,包括癌症生物学和...
- 英文名称N-(1-(Cyclohexylmethyl)Piperidin-4-yl)-2-(4-Isopropyl-1,4-Diazepan-1-yl)-6-Methoxy-7-(3-(Piperidin-1-yl)Propoxy)Quinazolin-4-Amine
- 中文名称N-[1-(环己基甲基)-4-哌啶基]-2-[六氢-4-异丙基-1H-1,4-二氮杂卓-1-基]-6-甲氧基-7-[3-(1-哌啶基)丙氧基]-4-喹唑啉胺
- IUPAC名称N-(1-(cyclohexylmethyl)piperidin-4-yl)-2-(4-isopropyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazolin-4-amine
- 其它别名N-(1-(Cyclohexylmethyl)Piperidin-4-yl)-2-(4-Isopropyl-1,4-Diazepan-1-yl)-6-Methoxy-7-(3-(Piperidin-1-yl)Propoxy)Quinazolin-4-Amine; N-[1-(Cyclohexylmethyl)-4-Piperidinyl]-2-(4-Isopropyl-1,4-Diazepa N-1-yl)-6-Methoxy-7-[3-(1-Piperidinyl)Propoxy]-4-Quinazolinamine; N-[1-(Cyclohexylmethyl)-4-Piperidinyl]-2-[hexahydro-4-(1-Methylethyl)-1H-1,4-Diazepin-1-Yl]-6-Methoxy-7-[3-(1-Piperidinyl)Propoxy]-4-Quinazolinamine
- CAS编号1320288-19-4
- MFCD编号:MFCD22683862
- 分子式:C37H61N7O2分子量:635.94
- 产品CID: 486618
- 产品分类生物化工 → 抑制剂 → 表观遗传学(Epigenetics)
物理性质
- 沸点763.4±70.0 °C at 760 mmHg
- 闪点415.5±35.7 °C
- 密度1.1±0.1 g/cm3
- pKa:9.34±0.70(预测)
- PSA:72.46
- LogP:6.29
- 折射率1.579
- 蒸汽压0.0±2.6 mmHg at 25°C
- 溶解性Insoluble In H2O; ≥12.66 mg/mL In Etoh With Ultrasonic; ≥18.35 mg/mL In DMSO With Gentle Warming
- 外观形态淡黄色至黄色固体
- 储存条件储存在 -20°C
- 产品应用该化合物是甲型甲基转移酶G9A(IC50 = 4 NM)的强大抑制剂,有效降低了各种癌症和正常细胞线的H3K9M2水平,包括MDA-MB-231,MCF7,PC3,22RV1,HCT116(WILD型和P53-/-)和IMR90,IC50值介于18至72 NM之间;它显示出高细胞强度,低细胞毒性以及功能强度和细胞毒性的极佳分离.
上下游产品
methyl 2-amino-5-methoxy-4-(3-(piperidin-1-yl)propoxy)benzoate methyl 5-methoxy-2-nitro-4-(3-(piperidin-1-yl)propoxy)benzoate 17H21Cl2N3O2C17H21Cl2N3O2 1-isopropyl-1,4-diazepane合成工艺路线路线简述
📜苯甲酸,4-(3-氯丙氧基)-3-甲氧基-,甲基酯置于ammonium Acetate,水,硝酸,乙酸酐,四丁基碘化铵,铁粉,Potassium Carbonate,溶剂黄146,N,N-二异丙基乙胺,三氟乙酸,N,N-二乙基苯胺,Sodium Iodide,Sodium Hydroxide,三氯氧磷体系中,用 四氢呋喃,甲醇,水,乙酸乙酯,异丙醇,乙腈 用作溶剂,化学反应 10.25H,反应生成N-[1-(环己基甲基)-4-哌啶基]-2-[六氢-4-异丙基-1H-1,4-二氮杂卓-1-基]-6-甲氧基-7-[3-(1-哌啶基)丙氧基]-4-喹唑啉胺
参考文献:Optimization Of Cellular Activity Of G9A Inhibitors 7-Aminoalkoxy-Quinazolines
标题:Optimization Of Cellular Activity Of G9A Inhibitors 7-Aminoalkoxy-Quinazolines
摘要:Protein Lysine Methyltransferase G9A Plays Key Roles In The Transcriptional Repression Of A Variety Of Genes Via Dimethylation Of Lysine 9 On Histone H3 (H3K9Me2) Of Chromatin As Well As Dimethylation Of Nonhistone Proteins Including Tumor Suppressor P53. We Previously Reported The Discovery Of Unc0321 (3),The Most Potent G9A Inhibitor To Date,Via Structure-Based Design And Structure-Activity Relationship (Sar) Exploration Of The Quinazoline Scaffold Represented By Bix01294 (1). Despite Its Very High In Vitro Potency,Compound 3 Lacks Sufficient Cellular Potency. The Design And Synthesis Of Several Generations Of New Analogues Aimed At Improving Cell Membrane Permeability While Maintaining High In Vitro Potency Resulted In The Discovery Of A Number Of Novel G9A Inhibitors Such As Unc0646 (6) And Unc0631 (7) With Excellent Potency In A Variety Of Cell Lines And Excellent Separation Of Functional Potency Versus Cell Toxicity. The Design,Synthesis,And Cellular Sar Of These Potent G9A Inhibitors Are Described.
Doi:10.1021/jm200903Z
海关参考信息
- 2905121000-正丙醇
2907210001-间苯二酚
2921211000-乙二胺
2908199090-其他酚的卤化衍生物 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Ma W, Han C, Zhang J, Song K, Chen W, Kwon H, Wu T. The Histone Methyltransferase G9a Promotes Cholangiocarcinogenesis Through Regulation of the Hippo Pathway Kinase LATS2 and YAP Signaling Pathway. Hepatology. 2020 Oct;72(4):1283-1297. doi: 10.1002/hep.31141. Epub 2020 Oct 9.
2: Zhao Z, Liu Q, Wu C, Guo W, Li J. [Expression of G9a in breast cancer and its effect on proliferation of breast cancer cells in vitro]. Nan Fang Yi Ke Da Xue Xue Bao. 2019 Apr 30;39(4):477-484. Chinese. doi: 10.12122/j.issn.1673-4254.2019.04.15.
3: Liu F, Barsyte-Lovejoy D, Allali-Hassani A, He Y, Herold JM, Chen X, Yates CM, Frye SV, Brown PJ, Huang J, Vedadi M, Arrowsmith CH, Jin J. Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines. J Med Chem. 2011 Sep 8;54(17):6139-50. doi: 10.1021/jm200903z. Epub 2011 Aug 5.
合成参考文献
合成方法参考DOI号:10.1021/jm200903z
📝 需求与反馈
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