3-benzyl-3,9-diaza-bicyclo[3.3.1]nonane | 92373-56-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-benzyl-3,9-diaza-bicyclo[3.3.1]nonane
• 英文别名: 3-benzyl-3,9-diazabicyclo[3.3.1]nonane；3-Benzyl-3,9-diaza-bicyclo<3.3.1>nonan
• CAS: 92373-56-3
• 化学式: C₁₄H₂₀N₂
• mdl: MFCD20441692
• 分子量: 216.326
• InChiKey: FYSCXTRDKBSUBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-benzyl-3,9-diaza-bicyclo[3.3.1]nonane 在 lithium aluminium tetrahydride 作用下， 生成 3-benzyl-9-(3-morpholin-4-yl-propyl)-3,9-diaza-bicyclo[3.3.1]nonane
  参考文献：
  名称：

  9-烷基氨基烷基取代的3-苄基-3,9-二氮杂双环[3,3,1]壬烷的合成及药理性质

  摘要：

  结论合成了一系列3-苄基-3,9-二氮杂双环[3,3,1]壬烷衍生物叔胺盐酸盐。

  DOI：

  10.1007/bf00759330

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。
• 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。
• Novel Aminopyridine Derivatives Having Aurora a Selective Inhibitory Action
  申请人：Kato Tetsuya

  公开号：US20090192174A1

  公开（公告）日：2009-07-30

  The present invention relates to a compound of general formula I: wherein: n 1 and n 2 are the same or different, and are 0 or 1; R is aryl, heteroaryl, etc.; R e is hydrogen atom or lower alkyl; two groups selected from four groups consisting of (i) either one of R a1 and R a1 ′, (ii) either one of R a2 and R a2 ′, (iii) either one of R b1 and R b1 ′, and (iv) either one of R b2 and R b2 ′, are combined to form —(CH 2 ) n — where n is 1, 2 or 3; and among R a1 , R a1 ′, R a2 , R a2 ′, R b1 , R b1 ′, R b2 and R b2 ′, the groups which do not form —(CH 2 ) n — are each independently hydrogen atom, etc.; X 1 , X 2 , X 3 and X 4 are each independently CH, N, etc.; Y 1 , Y 2 , Y 3 and Y 4 are the same or different and are CH or N, etc.; W is a 5-membered aromatic heterocyclic group, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及一种通式I的化合物： 其中：n1和n2相同或不同，且均为0或1；R为芳基，杂芳基等；Re为氢原子或低碳基；从由(i) Ra1和Ra1'中的任意一个，(ii) Ra2和Ra2'中的任意一个，(iii) Rb1和Rb1'中的任意一个，以及(iv) Rb2和Rb2'中的任意一个四个基中选择两个基，组合形成—(CH2)n—，其中n为1、2或3；在Ra1、Ra1'、Ra2、Ra2'、Rb1、Rb1'、Rb2和Rb2'中不形成—(CH2)n—的基各自独立地为氢原子等；X1、X2、X3和X4各自独立地为CH、N等；Y1、Y2、Y3和Y4相同或不同，且为CH或N等；W为5-成员芳香杂环基，或其药学上可接受的盐或酯。
• NOVEL AMINOPYRIDINE DERIVATIVE HAVING AURORA-A-SELECTIVE INHIBITORY ACTIVITY
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP2017279A1

  公开（公告）日：2009-01-21

  The present invention relates to a compound of general formula I: wherein: n1 and n2 are the same or different, and are 0 or 1; R is aryl, heteroaryl, etc.; Re is hydrogen atom or lower alkyl; two groups selected from four groups consisting of (i) either one of Ra1 and Ra1', (ii) either one of Ra2 and Ra2', (iii) either one of Rb1 and Rb1', and (iv) either one of Rb2 and Rb2', are combined to form -(CH2)n- where n is 1, 2 or 3; and among Ra1, Ra1', Ra2, Ra2', Rb1, Rb1', Rb2 and Rb2', the groups which do not form -(CH2)n- are each independently hydrogen atom, etc.; X1, X2, X3 and X4 are each independently CH, N, etc.; Y1, Y2, Y3 and Y4 are the same or different and are CH or N, etc.; W is a 5-membered aromatic heterocyclic group, or a pharmaceutically acceptable salt or ester thereof.

  本发明涉及通式 I 的化合物： 其中 n1 和 n2 相同或不同，且为 0 或 1；R 为芳基、杂芳基等。Re为氢原子或低级烷基；选自以下四个基团的两个基团结合形成-(CH2)n-，其中 n 为 1、2 或 3：(i) Ra1 和 Ra1'中的任一个；(ii) Ra2 和 Ra2'中的任一个；(iii) Rb1 和 Rb1'中的任一个；(iv) Rb2 和 Rb2'中的任一个；在 Ra1、Ra1'、Ra2、Ra2'、Rb1、Rb1'、Rb2 和 Rb2'中，不形成-(CH2)n-的基团各自独立地为氢原子等。X1、X2、X3 和 X4 各自独立地为 CH、N 等；Y1、Y2、Y3 和 Y4 相同或不同，且为 CH 或 N 等；W 为 5 元芳香杂环基团、 或其药学上可接受的盐或酯。