7-cyclopentyl-2-{5-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide | 1211442-25-9

• 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: 7-cyclopentyl-2-{5-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
• 英文别名: 7-cyclopentyl-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-2-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• CAS: 1211442-25-9
• 化学式: C₂₆H₃₆N₈O₂
• 分子量: 492.624
• InChiKey: RJOPELIOKIYMGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  7-cyclopentyl-2-(5-formyl-pyridin-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide 、 N-羟乙基哌嗪 以gave 7-cyclopentyl-2-{5-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide as an off white solid (78 mg, 40%) [following SiO2 chromatography, eluting with 0-10% (2M NH3 in MeOH)/DCM]的产率得到7-cyclopentyl-2-{5-[4-(2-hydroxy-ethyl)-piperazin-1-ylmethyl]-pyridin-2-ylamino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid dimethylamide
  参考文献：
  名称：

  Pyrrolopyrimidine compounds and their uses

  摘要：

  本发明涉及公式(I)的化合物，以及其药学上可接受的盐和制药组合物。本发明还涉及使用公式(I)的化合物来调节蛋白激酶的活性，并用于治疗疾病，特别是与CDK4抑制相关的疾病、障碍或综合征的治疗。

  公开号：

  US08415355B2

文献信息

• [EN] PYRROLOPYRIMIDINE COMPOUNDS AS CDK INHIBITORS<br/>[FR] COMPOSÉS DE PYRROLOPYRIMIDINE ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2010020675A1

  公开（公告）日：2010-02-25

  The disclosed compounds relate to treatments and therapies for protein kinase-associated disorders. There is also a need for compounds useful in the treatment or prevention or amelioration of one or more symptoms of cancer, transplant rejections, and autoimmune diseases. Furthermore, there is a need for methods for modulating the activity of protein kinases, such as CDK1, CDK2, CDK4, CDK5, CDK6, CDK7, CDK8 and CDK9, using the compounds provided herein.

  所披露的化合物涉及治疗与蛋白激酶相关的疾病。此外，还需要用于治疗、预防或改善癌症、移植排斥和自身免疫疾病的一个或多个症状的化合物。更进一步，还需要使用本处提供的化合物来调节蛋白激酶活性的方法，如CDK1、CDK2、CDK4、CDK5、CDK6、CDK7、CDK8和CDK9。
• [EN] THERAPEUTIC COMBINATIONS OF A BTK INHIBITOR, A PI3K INHIBITOR, A JAK-2 INHIBITOR AND/OR A CDK 4/6 INHIBITOR<br/>[FR] COMBINAISONS THÉRAPEUTIQUES D'UN INHIBITEUR DE LA BTK, D'UN INHIBITEUR DE LA PI3K, D'UN INHIBITEUR DE LA JAK-2 ET/OU D'UN INHIBITEUR DE LA CDK 4/6
  申请人：ACERTA PHARMA BV

  公开号：WO2016024232A1

  公开（公告）日：2016-02-18

  Therapeutic combinations of a phosphoinositide 3-kinase (PI3K) inhibitor, including PI3K inhibitors selective for the γ- and δ-isoforms and selective for both γ- and δ-isoforms (PI3K-γ,δ, PI3K-γ, and PI3K-δ, a Janus kinase-2 (JAK-2) inhibitor, a cyclin-dependent kinase- 4/6 (CDK4/6) inhibitor, and/or a Bruton's tyrosine kinase (BTK) inhibitor are described. In certain embodiments, the invention includes therapeutic combinations of a cyclin-dependent kinase-4/6 (CDK4/6) inhibitor and a BTK inhibitor, a PI3K-δ inhibitor and a BTK inhibitor, a JAK-2 and a BTK inhibitor, and a JAK-2, PI3K-δ, and BTK inhibitor.

  描述了磷脂酰肌醇3-激酶（PI3K）抑制剂的治疗组合，包括选择性作用于γ-和δ-异构体以及同时选择γ-和δ-异构体（PI3K-γ,δ, PI3K-γ和PI3K-δ）的PI3K抑制剂，一种Janus激酶-2（JAK-2）抑制剂，一种细胞周期依赖性激酶-4/6（CDK4/6）抑制剂，和/或一种Bruton氏酪氨酸激酶（BTK）抑制剂。在某些实施例中，该发明包括细胞周期依赖性激酶-4/6（CDK4/6）抑制剂和BTK抑制剂的治疗组合，PI3K-δ抑制剂和BTK抑制剂，JAK-2和BTK抑制剂，以及JAK-2、PI3K-δ和BTK抑制剂的治疗组合。
• Combination Comprising a Cyclin Dependent Kinase 4 or Cyclin Dependent Kinase (CDK4/6) Inhibitor for Treating Cancer
  申请人：Borland Maria

  公开号：US20160008367A1

  公开（公告）日：2016-01-14

  A combination of a CDK4/6 inhibitor and an mTOR inhibitor for the treatment of cancer.

  一种CDK4/6抑制剂和mTOR抑制剂的组合，用于癌症治疗。
• PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES
  申请人：NOVARTIS AG

  公开号：US20130184285A1

  公开（公告）日：2013-07-18

  The disclosed compounds relate to treatments and therapies for protein kinase-associated disorders. There is also a need for compounds useful in the treatment or prevention or amelioration of one or more symptoms of cancer, transplant rejections, and autoimmune diseases. Furthermore, there is a need for methods for modulating the activity of protein kinases, such as CDK1, CDK2, CDK4, CDK5, CDK6, CDK7, CDK8 and CDK9, using the compounds provided herein.

  所透露的化合物涉及蛋白激酶相关疾病的治疗和疗法。还需要用于治疗、预防或改善癌症、移植排斥和自身免疫性疾病一种或多种症状的化合物。此外，还需要使用此处提供的化合物调节蛋白激酶活性的方法，如CDK1、CDK2、CDK4、CDK5、CDK6、CDK7、CDK8和CDK9。
• [EN] COMBINATION COMPRISING A CYCLIN DEPENDENT KINASE 4 OR CYCLIN DEPENDENT KINASE (CDK4/6) INHIBITOR AND AN MTOR INHIBITOR FOR TREATING CANCER<br/>[FR] COMBINAISON COMPRENANT UN INHIBITEUR DE KINASES 4 CYCLINES-DÉPENDANTES OU DE KINASES 6 CYCLINES-DÉPENDANTES (CDK4/6) ET UN INHIBITEUR DE MTOR POUR LE TRAITEMENT DU CANCER
  申请人：NOVARTIS AG

  公开号：WO2011130232A1

  公开（公告）日：2011-10-20

  A combination of a CDK4/6 inhibitor and an mTOR inhibitor for the treatment of cancer.

  一种CDK4/6抑制剂和mTOR抑制剂的组合，用于治疗癌症。