7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine | 364042-47-7

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
• 英文别名: 7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
• CAS: 364042-47-7
• 化学式: C₂₉H₃₄N₆O
• 分子量: 482.6
• InChiKey: FDVSOQRNTAPCHB-UHFFFAOYSA-N

物化性质

• 沸点：
  686.4±55.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)
• 溶解度：
  H2O：可溶10mg/mL（澄清溶液）

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  36
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• AGENT FOR TREATING OR INHIBITING RECURRENCE OF ACUTE MYELOID LEUKEMIA
  申请人：RIKEN

  公开号：US20150210698A1

  公开（公告）日：2015-07-30

  This invention relates to an agent for treating or inhibiting recurrence of acute myeloid leukemia and an agent for inhibiting growth of leukemia stem cells comprising a compound represented by formula (I) or a salt thereof: wherein Ar 1 and Ar 2 each represent aryl or heteroaryl; L represents O, S, NH, NHCO, or CONH; X represents CH or N; Y represents C 1-3 -alkylene; Z 1 represents hydrogen, C 1-6 -alkyl, amino-C 1-6 -alkyl, C 1-6 -alkylamino-C 1-6 -alkyl, di(C 1-6 -alkyl)amino-C 1-6 -alkyl, hydroxy-C 1-6 -alkyl, C 1-6 -alkoxy-C 1-6 -alkyl, or carboxy-C 1-6 -alkyl; and Z 2 represents C 1-6 -alkyl, amino-C 1-6 -alkyl, C 1-6 -alkylamino-C 1-6 -alkyl, di(C 1-6 -alkyl)amino-C 1-6 -alkyl, hydroxy-C 1-6 -alkyl, C 1-6 -alkoxy-C 1-6 -alkyl, or carboxy-C 1-6 -alkyl, Z 1 and Z 2 may, together with adjacent nitrogen, form a heterocyclic group containing as a ring member one or more hetero atoms, in addition to the nitrogen adjacent to Z 1 and Z 2 .

  本发明涉及一种用于治疗或抑制急性髓性白血病复发的药物和一种抑制白血病干细胞生长的药物，包括式（I）或其盐所表示的化合物：其中Ar1和Ar2分别表示芳基或杂环芳基；L表示O、S、NH、NHCO或CONH；X表示CH或N；Y表示C1-3-烷基；Z1表示氢、C1-6-烷基、氨基-C1-6-烷基、C1-6-烷基氨基-C1-6-烷基、二（C1-6-烷基）氨基-C1-6-烷基、羟基-C1-6-烷基、C1-6-烷氧基-C1-6-烷基或羧基-C1-6-烷基；Z2表示C1-6-烷基、氨基-C1-6-烷基、C1-6-烷基氨基-C1-6-烷基、二（C1-6-烷基）氨基-C1-6-烷基、羟基-C1-6-烷基、C1-6-烷氧基-C1-6-烷基或羧基-C1-6-烷基，Z1和Z2可以与相邻的氮一起形成含有一个或多个杂原子的杂环基团，除了与Z1和Z2相邻的氮。
• THERAPEUTIC AGENT FOR INTRACTABLE LEUKEMIA
  申请人：Riken

  公开号：EP3269367A1

  公开（公告）日：2018-01-17

  The present invention provides a therapeutic composition for intractable leukemia comprising a drug (a) and a drug (b), wherein the drug (a) is a compound represented by the following formula (I), a salt thereof, or a prodrug thereof: wherein, Ar1 is a substituted or unsubstituted arylene group; Ar2 is a substituted or unsubstituted aryl group or a substituted or unsubstituted aralkyl group; L is an oxygen atom, -NHCO-, or -CONH-; X1 is CH; X2 and X3 are CH and a nitrogen atom, respectively; Y is an ethylene group; m is 0; and Z1 and Z2 form a substituted or unsubstituted monocyclic heterocyclic group comprising X3 and having two nitrogen atoms as ring members, and the drug (b) is a steroidal anti-inflammatory drug; and relates to a therapy for intractable leukemia.

  本发明提供了一种治疗难治性白血病的组合物，该组合物由药物（a）和药物（b）组成，其中药物（a）是由下式（I）代表的化合物、其盐或其原药： 其中，Ar1 是取代或未取代的芳烯基团； Ar2 是取代或未取代的芳基或取代或未取代的芳烷基； L 是氧原子、-NHCO- 或 -CONH-； X1 是 CH； X2 和 X3 分别是 CH 和一个氮原子； Y 是乙烯基 m 为 0；以及 Z1 和 Z2 组成一个取代或未取代的单环杂环基团，该基团包括 X3 并有两个氮原子作为环成员，以及 药物(b)是类固醇抗炎药物；涉及难治性白血病的治疗。
• Therapeutic agent for intractable leukemia
  申请人：RIKEN

  公开号：US10278979B2

  公开（公告）日：2019-05-07

  The present invention provides a therapeutic composition for intractable leukemia comprising a drug (a) and a drug (b), wherein the drug (a) is a compound represented by the following formula (I), a salt thereof, or a prodrug thereof: wherein, Ar1 is a substituted or unsubstituted arylene group; Ar2 is a substituted or unsubstituted aryl group or a substituted or unsubstituted aralkyl group; L is an oxygen atom, —NHCO—, or —CONH—; X1 is CH; X2 and X3 are CH and a nitrogen atom, respectively; Y is an ethylene group; m is 0; and Z1 and Z2 form a substituted or unsubstituted monocyclic heterocyclic group comprising X3 and having two nitrogen atoms as ring members, and the drug (b) is a steroidal anti-inflammatory drug; and relates to a therapy for intractable leukemia.

  本发明提供了一种治疗难治性白血病的组合物，该组合物由药物（a）和药物（b）组成，其中药物（a）是由下式（I）代表的化合物、其盐或其原药： 其中，Ar1 是取代或未取代的芳烯基团； Ar2 是取代或未取代的芳基或取代或未取代的芳烷基； L 是氧原子、-NHCO- 或 -CONH-； X1 是 CH； X2 和 X3 分别是 CH 和一个氮原子； Y 是乙烯基 m 为 0；以及 Z1 和 Z2 组成一个取代或未取代的单环杂环基团，该基团包括 X3 并有两个氮原子作为环成员，以及 药物(b)是类固醇抗炎药物；涉及难治性白血病的治疗。
• Inhibitors of DUX4 induction for regulation of muscle function
  申请人：Sonic Master Limited

  公开号：US11065243B2

  公开（公告）日：2021-07-20

  Disclosed are methods and compositions for the treatment of facioscapulohumeral muscular dystrophy. In some cases, the methods and compositions involve the use of kinase inhibitors include Src, Syk, Abl, Tie, Flt, ErbB, Trk, PRKDC, and Yes families to repress DUX4 expression in muscle cells. Further disclosed are methods and cell based assays for screening compounds for the treatment of facioscapulohumeral muscular dystrophy.

  所公开的是治疗面肱骨肌营养不良症的方法和组合物。在某些情况下，这些方法和组合物涉及使用包括 Src、Syk、Abl、Tie、Flt、ErbB、Trk、PRKDC 和 Yes 家族在内的激酶抑制剂来抑制肌肉细胞中 DUX4 的表达。进一步公开了用于筛选治疗面肱骨肌营养不良症的化合物的方法和基于细胞的检测方法。
• AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA
  申请人：Riken

  公开号：EP2878601B1

  公开（公告）日：2018-03-28