2-(6-aminopyridin-3-yl)hexahydropyrrolo[1,2-a]pyrazin-1-one | 1331847-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-(6-aminopyridin-3-yl)hexahydropyrrolo[1,2-a]pyrazin-1-one
• 英文别名: 2-(6-Amino-pyridin-3-yl)-hexahydro-pyrrolo[1,2-a]pyrazin-1-one；2-(6-aminopyridin-3-yl)-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
• CAS: 1331847-34-7
• 化学式: C₁₂H₁₆N₄O
• 分子量: 232.285
• InChiKey: FPIVTVPLBXUJRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  62.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(6-aminopyridin-3-yl)hexahydropyrrolo[1,2-a]pyrazin-1-one 、 2-chloro-7-cyclohexyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide 以gave 7-Cyclohexyl-2-[5-(1-oxo-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-pyridin-2-ylamino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide as a beige solid (75 mg, 0.139 mmol)的产率得到7-cyclohexyl-2-[5-(1-oxohexahydropyrrolo[1,2-a]pyrazin-2-yl)pyridin-2-ylamino]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
  参考文献：
  名称：

  PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6

  摘要：

  本发明涉及公式（I）的新型吡咯并嘧啶化合物，其中R1，R2Y，R4，R8-R11，A和L在此处定义，并且包括其盐，包括医药上可接受的盐。本发明的化合物是CDK4/6抑制剂，可用于治疗由CDK4/6介导的疾病和障碍，如癌症，包括曼托细胞淋巴瘤，脂肪肉瘤，非小细胞肺癌，黑色素瘤，鳞状细胞食管癌和乳腺癌。本发明还涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制CDK4/6活性和治疗与之相关的障碍的方法。

  公开号：

  US20130150342A1

文献信息

• [EN] TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS<br/>[FR] TRIAZOLONES UTILISÉES COMME INHIBITEURS D'ACIDES GRAS SYNTHASE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011103546A1

  公开（公告）日：2011-08-25

  This invention relates to the use of triazolone derivatives for the modulation, notably the inhibition of the activity or function of fatty acid synthase (FAS). Suitably, the present invention relates to the use of triazolones in the treatment of cancer.

  这项发明涉及三唑酮衍生物在调节脂肪酸合成酶（FAS）的活性或功能，特别是抑制其活性或功能方面的用途。适当地，本发明涉及三唑酮在癌症治疗中的应用。
• [EN] PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6<br/>[FR] COMPOSÉS DE LA PYRROLOPYRIMIDINE UTILISÉS EN TANT QU'INHIBITEURS DES CDK4/6
  申请人：NOVARTIS AG

  公开号：WO2011101409A1

  公开（公告）日：2011-08-25

  The invention is directed to novel pyrrolopyrimidine compounds of formula (I) wherein R1, R2Y, R4, R8- R11, A and L are defined herein and to salts, including pharmaceutically acceptable salts thereof. The compounds of the present invention are CDK4/6 inhibitors and could be useful in the treatment of diseases and disorders mediated by CDK4/6, such as cancer, including mantle cell lymphoma, liposarcoma, non small cell lung cancer, melanoma, squamous cell esophageal cancer and breast cancer. The invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CDK4/6 activity and to the treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及一种新型吡咯吡嘧啶化合物，其化学式为（I），其中R1、R2Y、R4、R8-R11、A和L的定义如下，以及其盐，包括其药用可接受盐。本发明的化合物是CDK4/6抑制剂，可用于治疗由CDK4/6介导的疾病和紊乱，如癌症，包括袍细胞淋巴瘤、脂肪肉瘤、非小细胞肺癌、黑色素瘤、鳞状细胞食管癌和乳腺癌。本发明还涉及包含本发明化合物的药物组合物。此外，本发明还涉及通过使用本发明化合物或包含本发明化合物的药物组合物来抑制CDK4/6活性和治疗相关疾病的方法。
• Pyrrolopyrimidine compounds as inhibitors of CDK4/6
  申请人：Brain Christopher Thomas

  公开号：US08957074B2

  公开（公告）日：2015-02-17

  The invention is directed to novel pyrrolopyrimidine compounds of formula (I) wherein R1, R2Y, R4, R8-R11, A and L are defined herein and to salts, including pharmaceutically acceptable salts thereof. The compounds of the present invention are CDK4/6 inhibitors and could be useful in the treatment of diseases and disorders mediated by CDK4/6, such as cancer, including mantle cell lymphoma, liposarcoma, non small cell lung cancer, melanoma, squamous cell esophageal cancer and breast cancer. The invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting CDK4/6 activity and to the treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及一种新型的吡咯吡嗪化合物，其化学式为(I)，其中R1、R2Y、R4、R8-R11、A和L的定义如本文所述，并且包括其盐，包括药学上可接受的盐。本发明的化合物是CDK4/6抑制剂，可用于治疗由CDK4/6介导的疾病和障碍，如癌症，包括曼托细胞淋巴瘤、脂肪肉瘤、非小细胞肺癌、黑色素瘤、鳞状细胞食管癌和乳腺癌。本发明还涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制CDK4/6活性和治疗相关障碍的方法。
• PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Teijin Pharma Limited

  公开号：EP3305785A1

  公开（公告）日：2018-04-11

  The purpose of the present invention is to provide a compound having an excellent CDK4/6 inhibiting activity. The present invention is a compound represented by general formula (I) or a pharmaceutically acceptable salt thereof.

  本发明的目的是提供一种具有优异 CDK4/6 抑制活性的化合物。本发明是通式（I）代表的化合物或其药学上可接受的盐。
• TRIAZOLONES AS FATTY ACID SYNTHASE INHIBITORS
  申请人：GlaxoSmithKline LLC

  公开号：EP2538787A1

  公开（公告）日：2013-01-02