CAS: 1246529-32-7; N6-Cyclohexyl-N2-(2-Methyl-4-Morpholinophenyl)-9H-Purine-2,6-Diamine
该化合物是其潜在的治疗用途,被归类为小分子抑制剂,具体针对在各种生物途径中至关重要的某些蛋白相互作用;该化合物展示了一种特定的行动机制,可能涉及与疾病过程相关的信号路径的调控;其分子结构包括有助于其溶性和生物利用率的功能组,使之适合药物配方的进一步发展;此外,MPI-0479605进行了各种临床前期研究,以评估其功效和安全状况,在定向疗法中显示了希望;与许多调查化合物一样,正在进行的研究对于充分阐明其药用基因学,药用动力学和潜在副作用至关重要.
- 英文名称N6-Cyclohexyl-N2-(2-Methyl-4-Morpholinophenyl)-9H-Purine-2,6-Diamine
- 中文名称MPI-0479605抑制剂
- IUPAC名称N6-cyclohexyl-N2-(2-methyl-4-morpholinophenyl)-9H-purine-2,6-diamine
- 其它别名N6-Cyclohexyl-N2-(2-Methyl-4-Morpholinophenyl)-9H-Purine-2,6-Diamine
- CAS编号1246529-32-7
- MFCD编号:MFCD28099811
- 分子式:C22H29N7O分子量:407.52
- 产品CID: 357276
- 产品分类有机原料 → 有机杂环化合物 → 恶嗪烷类
物理性质
- 沸点745.8±70.0 °C(预测)
- 密度1.3±0.1 g/cm3
- pKa:10.52±0.10(预测)
- PSA:90.99
- LogP:1.69
- 折射率1.700
- 溶解性Soluble In DMSO
- 外观形态白色至灰色结晶性固体
- 储存条件请置于阴暗处, 惰性气氛中,冷冻保存, 低于 -20°C
- 产品应用该化合物是ATP具有竞争力的有选择性的单体顺质激素MPS1(IC50=1.8 NM)抑制剂,对其他顺质素有40倍的选择性,它干扰了脊椎组装检查站(SAC)和对线状脊椎的染色体附着,导致染色细胞隔离缺陷和内微粒.化合物大大降低了细胞的存活能力,显示跨多个肿瘤细胞线的GI50值为30-100 NM.它通过吸附性病或线状灾难诱发细胞循环停用并促使细胞死亡.在维沃,MPI-0479605显示在直肠癌XENGRAFT模型中,直系细胞内部每天30毫克/千克或每四天150毫克/公斤时会发生抗舌裂反应.
MSDS等安全信息
上下游产品
(2-chloro-9H-purin-6-yl)-cyclohexyl-amine 2-methyl-4-morpholin-4-yl-phenylamine hydr°Chloride 6-cyclohexyl-N2-(2-methyl-4-morpholin-4-yl-phenyl)-9-(tetrahydropyran-2-yl)-9H-purine-2,6-diamineN6-cyclohexyl-N2-(2-methyl-4-morpholin-4-yl-phenyl)-9-(tetrahydropyran-2-yl)-9H-purine-2,6-diamine 2-Methyl-4-morpholin-4-ylphenylamine合成工艺路线路线简述
📜2-Chloro-N-Cyclohexyl-9H-Purin-6-Amine置于盐酸,Palladium Diacetate,Caesium Carbonate,对甲苯磺酸,R-(+)-1,1'-联萘-2,2'-双二苯膦体系中,用 四氢呋喃,1,4-二氧六环,甲醇,甲苯 用作溶剂,化学反应生成Mpi-0479605抑制剂
参考文献:Lead Optimization Of Purine Based Orally Bioavailable Mps1 (Ttk) Inhibitors
标题:Lead Optimization Of Purine Based Orally Bioavailable Mps1 (Ttk) Inhibitors
摘要:Efforts To Optimize Biological Activity,Novelty,Selectivity And Oral Bioavailability Of Mps1 Inhibitors,From A Purine Based Lead Mpi-0479605,Are Described In This Letter. Mps1 Biochemical Activity And Cytotoxicity In Hct-116 Cell Line Were Improved. On-Target Activity Confirmation Via Mechanism Based G2/m Escape Assay Was Demonstrated. Physico-Chemical And Adme Properties Were Optimized To Improve Oral Bioavailability In Mouse. (C) 2012 Elsevier Ltd. All Rights Reserved.
Doi:10.1016/j.Bmcl.2012.04.131
海关参考信息
- 2902300000-甲苯
2909110000-乙醚
2922110001-单乙醇胺 - 💡 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: Vijay Kumar D, Hoarau C, Bursavich M, Slattum P, Gerrish D, Yager K, Saunders M, Shenderovich M, Roth BL, McKinnon R, Chan A, Cimbora DM, Bradford C, Reeves L, Patton S, Papac DI, Williams BL, Carlson RO. Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett. 2012 Jul 1;22(13):4377-85. doi: 10.1016/j.bmcl.2012.04.131. Epub 2012 May 5. doi: 10.1158/1535-7163.MCT-11-0453. Epub 2011 Oct 6.
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