2-amino-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | 1331847-17-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-amino-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
• 英文别名: 7H-Pyrrolo(2,3-d)pyrimidine-6-carboxamide, 2-amino-7-cyclopentyl-N,N-dimethyl-；2-amino-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• CAS: 1331847-17-6
• 化学式: C₁₄H₁₉N₅O
• 分子量: 273.338
• InChiKey: ZSEKPRGGCJNABQ-UHFFFAOYSA-N

物化性质

• 沸点：
  557.2±53.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide 在 盐酸 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 、 水 、 甲苯 为溶剂， 反应 2.5h， 生成 瑞博司可里布
  参考文献：
  名称：

  Processes for the Preparation of Ribociclib and Intermediates Thereof

  摘要：

  本发明提供了制备Ribociclib的工艺，以及在制备过程中有用的中间体。具体而言，提供了制备化合物Formula（4）及其转化为Ribociclib（1）的工艺。

  公开号：

  US20190345163A1
• 作为产物：
  描述：

  benzyl 2-amino-4-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate 在 5%-palladium/activated carbon 、 氢气 、 三乙胺 、 N,N'-羰基二咪唑 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-amino-7-cyclopentyl-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
  参考文献：
  名称：

  Processes for the Preparation of Ribociclib and Intermediates Thereof

  摘要：

  本发明提供了制备Ribociclib的工艺，以及在制备过程中有用的中间体。具体而言，提供了制备化合物Formula（4）及其转化为Ribociclib（1）的工艺。

  公开号：

  US20190345163A1

文献信息

• [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。
• [EN] DEUTERATED 7-CYCLOPENTYL-N, N-DIMETHYL-2-((5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-7H-PYRROLO[2,3-D]PYRIMDINE-6-CARBOXAMIDE<br/>[FR] 7-CYCLOPENTYL-N,N-DIMÉTHYL-2-((5- (PIPÉRAZIN-1-YL)PYRIDIN-2-YL)AMINO)-7H- PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE DEUTÉRÉ
  申请人：LI GEORGE Y

  公开号：WO2018081211A1

  公开（公告）日：2018-05-03

  The present invention is related to compounds of Formula (I): (I) or a pharmaceutically acceptable salt thereof; wherein: Y1, Y2, Y3, Y4, Y4,, Y5, Y5,; Y6, Y6,, Y7, Y7,, Y8, Y9, Y10, Y10,, Y10,,, Y11, Y11,, Y11,,, Y12, Y12,, Y13, Y13,, Y14, Y14,, Y15, Y15, and Y16 are selected from the group consisting of hydrogen or deuterium, wherein at least one of Y1, Y2, Y3, Y4, Y4,, Y5, Y5,; Y6, Y6,, Y7, Y7,, Y8, Y9, Y10, Y10,, Y10,,, Y11, Y11,, Y11,,, Y12, Y12,, Y13, Y13,, Y14, Y14,, Y15, Y15, and Y16 is deuterium; and each carbon is independently optionally replaced with l3C. It also relates to pharmaceutical compositions comprising the compounds of Formula (I) and the use of these compounds as selective CDK4/6 inhibitors with the potential for treatment of pRb-positive tumor types including HR-positive and HER2 -negative breast cancer in combination with additional agents (i.e. letrozole).

  本发明涉及以下式(I)的化合物或其药学上可接受的盐；其中：Y1、Y2、Y3、Y4、Y4'、Y5、Y5'、Y6、Y6'、Y7、Y7'、Y8、Y9、Y10、Y10'、Y10''、Y11、Y11'、Y11''、Y12、Y12'、Y13、Y13'、Y14、Y14'、Y15和Y16从氢或氘的群体中选择，其中至少有一个Y1、Y2、Y3、Y4、Y4'、Y5、Y5'、Y6、Y6'、Y7、Y7'、Y8、Y9、Y10、Y10'、Y10''、Y11、Y11'、Y11''、Y12、Y12'、Y13、Y13'、Y14、Y14'、Y15和Y16是氘；并且每个碳原子可以独立地选择性地被替换为l3C。本发明还涉及包含式(I)的化合物的药物组合物，以及将这些化合物用作具有选择性的CDK4/6抑制剂，具有治疗pRb阳性肿瘤类型，包括HR阳性和HER2阴性乳腺癌的潜力，并与其他药物（例如来曲唑）联合使用的用途。
• Processes for the preparation of Ribociclib and intermediates thereof
  申请人：Apotex Inc.

  公开号：US10723739B2

  公开（公告）日：2020-07-28

  The present invention provides processes for the preparation of Ribociclib, as well as intermediates useful in the preparation thereof. In particular, processes are provided for the preparation of a compound of Formula (4), and its conversion to Ribociclib (1).

  本发明提供了制备Ribociclib的方法，以及在其制备过程中有用的中间体。具体而言，提供了制备化合物式（4）的方法及其转化为Ribociclib（1）的方法。
• PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6
  申请人：Brain Christopher Thomas

  公开号：US20130150342A1

  公开（公告）日：2013-06-13

  The invention is directed to novel pyrrolopyrimidine compounds of formula (I) wherein R 1 , R 2Y , R 4 , R 8 -R 11 , 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。
• 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。