CAS: 1166227-08-2; (S)-N1-(2-(Tert-Butyl)-4'-Methyl-[4,5'-Bithiazol]-2'-yl)Pyrrolidine-1,2-Dicarboxamide
- 英文名称(S)-N1-(2-(Tert-Butyl)-4'-Methyl-[4,5'-Bithiazol]-2'-yl)Pyrrolidine-1,2-Dicarboxamide
- 中文名称A 66; (2S)-N1-(2-叔丁基-4'-甲基[4,5'-联噻唑]-2'-基)-1,2-吡咯烷二甲酰胺
- IUPAC名称(S)-N1-(2-(tert-butyl)-4'-methyl-[4,5'-bithiazol]-2'-yl)pyrrolidine-1,2-dicarboxamide
- CAS编号1166227-08-2
- MFCD编号:MFCD22378485
- 分子式:C17H23N5O2S2分子量:393.54
- 产品CID: 211654
- 产品分类生物化工 → 抑制剂 → PI3K/Akt/mTOR抑制剂(PI3K/Akt/mTOR)
物理性质
- 密度1.354
- pKa:6.27±0.70(预测)
- PSA:162.17
- LogP:4.4553
- 溶解性Insoluble In H2O; ≥19.7 mg/mL In DMSO; ≥2.63 mg/mL In Etoh With Gentle Warming
- 外观形态类白色至淡黄色固体
- 储存条件密封干燥,冷冻保存, 低于 -20°C
- 产品应用该化合物用作:-抑制P110Α(如E545K和H1047R)的野型和诱发型变异体,其特性高于其他等级I PI3K等形;-在癌症细胞线中阻隔胰岛素向AKT/PKB的信号,该细胞线将窝藏PIK3CA H1047AR突变并显示高P110FF和IA PIK活动;-通过改变P85Α ISH2变异并减少T308的AKT磷酸化作用来抑制焦点形成;-限制AK/PKOB和P70S6 流动磷酸性关系,减少XT16型肿瘤的生长;-对甘蓝和胰腺素浸泡和胰岛耐受性,并增加活性肝素生产,展示其在调制PI3 K依赖性代谢途径中的作用.
上下游产品
imidazole-1-carboxylic acid (2-tert-butyl-4'-methyl-[4,5']bithiazolyl-2'-yl)-amide L-prolinamide 5-acetyl-2-(N-acetylamino)-4-methylthiazole 1,1'-carbonyldiimidazole合成工艺路线路线简述
📜N-(5-Acetyl-4-Methylthiazol-2-yl)Acetamide置于盐酸,溴体系中,用 1,4-二氧六环,乙醇 用作溶剂,化学反应 93.0H,反应生成A 66; (2S)-N1-(2-叔丁基-4'-甲基[4,5'-联噻唑]-2'-基)-1,2-吡咯烷二甲酰胺
参考文献:Identification And Optimisation Of A 4',5-Bisthiazole Series Of Selective Phosphatidylinositol-3 Kinase Alpha Inhibitors
标题:Identification And Optimisation Of A 4',5-Bisthiazole Series Of Selective Phosphatidylinositol-3 Kinase Alpha Inhibitors
摘要:Exploring The Affinity-Pocket Binding Moiety Of A 2-Aminothiazole (S)-Proline-Amide-Urea Series Of Selective Pi3K Alpha Inhibitors Using A Parallel-Synthesis Approach Led To The Identification Of A Novel 4',5-Bisthiazole Sub-Series. The Synthesis And Optimisation Of Both The Affinity Pocket And (S)-Proline Amide Moieties Within This 4',5-Bisthiazole Sub-Series Are Described. From This Work A Number Of Analogues,Including 14 (A66) And 24,Were Identified As Potent And Selective Pi3K Alpha Inhibitor In Vitro Tool Compounds. (C) 2015 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Bmcl.2015.06.078
海关参考信息
- 2912110000-甲醛
2912120000-乙醛
2921211000-乙二胺
2924191000-二甲基甲酰胺 - 💡 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: Sweetlove M, Wrightson E, Kolekar S, Rewcastle GW, Baguley BC, Shepherd PR, Jamieson SM. Inhibitors of pan-PI3K Signaling Synergize with BRAF or MEK Inhibitors to Prevent BRAF-Mutant Melanoma Cell Growth. Front Oncol. 2015 Jun 16;5:135. doi: 10.3389/fonc.2015.00135. eCollection 2015.
2: Ni Y, Sinnett-Smith J, Young SH, Rozengurt E. PKD1 mediates negative feedback of PI3K/Akt activation in response to G protein-coupled receptors. PLoS One. 2013 Sep 9;8(9):e73149. doi: 10.1371/journal.pone.0073149. eCollection 2013. Erratum in: PLoS One. 2014;9(1). doi:10.1371/annotation/70d3c7b0-9718-4bb1-abed-d0defc3b7fc4.
3: Buchanan CM, Dickson JM, Lee WJ, Guthridge MA, Kendall JD, Shepherd PR. Oncogenic mutations of p110α isoform of PI 3-kinase upregulate its protein kinase activity. PLoS One. 2013 Aug 1;8(8):e71337. doi: 10.1371/journal.pone.0071337. Print 2013.
合成参考文献
参考文献:10.1021/ml500354e
摘要:Mountford SJ, Zheng Z, Sundaram K, Jennings IG, Hamilton JR, Thompson PE. Class II but Not Second Class-Prospects for the Development of Class II PI3K Inhibitors. ACS Med Chem Lett. 2015 Jan 08;6(1):3–6.
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