(S)-2-amino-3-(1H-indol-3-yl)-propionic acid 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidiin-4-yl]-piperidin-4-ylmethyl ester | 724471-32-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (S)-2-amino-3-(1H-indol-3-yl)-propionic acid 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidiin-4-yl]-piperidin-4-ylmethyl ester
• 英文别名: [1-[7-(4-bromo-2,6-dimethylphenyl)-2,5-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
• CAS: 724471-32-3
• 化学式: C₃₃H₃₇BrN₆O₂
• 分子量: 629.6
• InChiKey: RCAJKCJRAWADSW-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (S)-2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionic acid 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidiin-4-yl]-piperidin-4-ylmethyl ester 在 盐酸 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 反应 48.0h， 生成 (S)-2-amino-3-(1H-indol-3-yl)-propionic acid 1-[7-(4-bromo-2,6-dimethyl-phenyl)-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidiin-4-yl]-piperidin-4-ylmethyl ester
  参考文献：
  名称：

  [EN] PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP
  [FR] DERIVES DE PYRROLOPYRIMIDINE ET DE PYRROLOPYRIDINE A SUBSTITUTION PAR UN GROUPE AMINO CYCLIQUE

  摘要：

  本发明的一个目的是提供一种针对CRF受体的拮抗剂，该拮抗剂可作为治疗或预防剂用于CRF被认为参与的疾病，如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、皮肤炎、精神分裂症等疾病。[解决方案] 一种用下式[I]表示的含有环状氨基团的吡咯吡嘧啶或吡咯吡啶衍生物具有高亲和力对CRF受体，并对CRF被认为参与的疾病有效。

  公开号：

  WO2004058767A1

文献信息

• Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group
  申请人：Nakazato Atsuro

  公开号：US20050209253A1

  公开（公告）日：2005-09-22

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. [Solution] A pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by the following formula [I]: has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种针对CRF受体的拮抗剂，作为治疗或预防CRF参与的疾病的有效药物，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合症、睡眠障碍、皮肤炎、精神分裂症等。[解决方案] 一种以以下公式[I]表示的带有环状氨基基团的吡咯并嘧啶或吡咯并吡啶衍生物，具有与CRF受体的高亲和力，并对CRF参与的疾病有效。
• Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group
  申请人：NAKAZATO Atsuro

  公开号：US20080287397A1

  公开（公告）日：2008-11-20

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. This problem can be solved with a pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by formula [I] below which has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种CRF受体拮抗剂，作为治疗或预防与CRF有关的疾病的药物，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、皮炎、精神分裂症等。这个问题可以通过下式[I]所表示的带有环状氨基基团的吡咯吡嘧啶或吡咯吡啶衍生物来解决，其具有高亲和力，对CRF受体有效，并且对与CRF有关的疾病也有效。
• PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP
  申请人：NAKAZATO Atsuro

  公开号：US20110130364A1

  公开（公告）日：2011-06-02

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. This problem can be solved with a pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by formula [I] below which has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种CRF受体拮抗剂，该拮抗剂作为治疗或预防CRF参与的疾病的药物，如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、皮炎、精神分裂症等方面有效。这个问题可以通过一种代表式[I]下的带有环状氨基基团的吡咯吡咪啉或吡咯吡啶衍生物来解决，该衍生物对CRF受体具有高亲和力，并对CRF参与的疾病有效。
• PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP
  申请人：Taisho Pharmaceutical Co. Ltd.

  公开号：EP1467997A1

  公开（公告）日：2004-10-20
• US7932259B2
  申请人：——

  公开号：US7932259B2

  公开（公告）日：2011-04-26