(2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide monohydrate | 1372928-09-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide monohydrate
• 英文别名: (2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide;hydrate
• CAS: 1372928-09-0
• 化学式: C₂₁H₂₃ClN₆O*H₂O
• 分子量: 428.922
• InChiKey: XIDWDUXIYCEUTL-LMRHVHIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  30
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  86.2
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide 在 水 作用下， 以 乙腈 为溶剂， 以44%的产率得到(2R,5S)-4-(3-chloro-4-cyanophenyl)-N-(2-cyclopropylpyrimidin-5-yl)-2,5-dimethylpiperazine-1-carboxamide monohydrate
  参考文献：
  名称：

  CRYSTALS OF ANDROGEN RECEPTOR ANTAGONIST COMPOUND

  摘要：

  【问题】提供一种(2R,5S)-4-(3-氯-4-氰基苯基)-N-(2-环丙基嘧啶-5-基)-2,5-二甲基哌嗪-1-羧酰胺的晶体，其具有优异的雄激素受体（AR）拮抗剂活性，其盐或溶剂化物适用于作为制药产品的大宗药物进行工业化；包含该晶体作为活性成分的制药组合物；以及作为AR拮抗剂的制药组合物。 【解决方案】提供了(2R,5S)-4-(3-氯-4-氰基苯基)-N-(2-环丙基嘧啶-5-基)-2,5-二甲基哌嗪-1-羧酰胺的A01型单水合物晶体、A01型盐酸晶体、A01型溴酸盐晶体和A01型甲磺酸盐晶体，它们具有特定的晶体形态。

  公开号：

  EP2772491A1

文献信息

• ANTAGONIST FOR MUTANT ANDROGEN RECEPTOR
  申请人：Ideyama Yukitaka

  公开号：US20130197009A1

  公开（公告）日：2013-08-01

  [Problem] An object of the present invention is to provide a novel anticancer drug which is useful for treating prostate cancer accompanying androgen receptor mutation [Means for Solution] The present inventors conducted thorough research on mutant androgen-related diseases for which the traditional anti-androgen drugs become ineffective. As a result, they found that the compound, which is an active ingredient of the pharmaceutical composition of the present invention, exhibits an inhibitory action against transcriptional activation in a human mutant androgen receptor (AR), and has an excellent antitumor action in a human prostate cancer-bearing mouse, thereby completing the present invention. Accordingly, the compound, which is an active ingredient of the pharmaceutical composition of the present invention, is useful for a series of androgen receptor-related diseases including prostate cancer.

  [问题] 本发明的目的是提供一种新型抗癌药物，用于治疗伴有雄激素受体突变的前列腺癌[解决方法] 本发明的发明人对传统抗雄激素药物无效的突变雄激素相关疾病进行了深入研究。结果发现，本发明的药物组合的活性成分对人类突变雄激素受体（AR）的转录激活具有抑制作用，并在携带人类前列腺癌的小鼠中表现出优秀的抗肿瘤作用，从而完成了本发明。因此，本发明的药物组合的活性成分对包括前列腺癌在内的一系列雄激素受体相关疾病具有用处。
• ANTAGONIST FOR MUTATED ANDROGEN RECEPTOR
  申请人：Astellas Pharma Inc.

  公开号：EP2631233A1

  公开（公告）日：2013-08-28

  [Problem] An object of the present invention is to provide a novel anticancer drug which is useful for treating prostate cancer accompanying androgen receptor mutation [Means for Solution] The present inventors conducted thorough research on mutant androgen-related diseases for which the traditional anti-androgen drugs become ineffective. As a result, they found that the compound, which is an active ingredient of the pharmaceutical composition of the present invention, exhibits an inhibitory action against transcriptional activation in a human mutant androgen receptor (AR), and has an excellent antitumor action in a human prostate cancer-bearing mouse, thereby completing the present invention. Accordingly, the compound, which is an active ingredient of the pharmaceutical composition of the present invention, is useful for a series of androgen receptor-related diseases including prostate cancer.

  [问题]本发明的目的是提供一种新型抗癌药物，该药物可用于治疗伴有雄激素受体突变的前列腺癌 [解决方法]本发明人对传统抗雄激素药物无效的突变雄激素相关疾病进行了深入研究。结果，他们发现作为本发明药物组合物有效成分的化合物对人类突变雄激素受体（AR）的转录激活具有抑制作用，并对人类前列腺癌小鼠具有很好的抗肿瘤作用，从而完成了本发明。因此，作为本发明药物组合物活性成分的该化合物可用于包括前列腺癌在内的一系列雄激素受体相关疾病。
• US20140275105A1
  申请人：——

  公开号：US20140275105A1

  公开（公告）日：2014-09-18