4-bromo-2-(ethylamino)benzonitrile | 954226-96-1

• 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: 4-bromo-2-(ethylamino)benzonitrile
• CAS: 954226-96-1
• 化学式: C₉H₉BrN₂
• 分子量: 225.088
• InChiKey: FUGIDEQDQSXQJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-bromo-2-(ethylamino)benzonitrile 在 sodium azide 、 zinc dibromide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以79%的产率得到5-bromo-N-ethyl-2-(1H-tetrazol-5-yl)aniline
  参考文献：
  名称：

  [EN] N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS
  [FR] UTILISATION DE DÉRIVÉS D'INDOLE N-SUBSTITUÉS COMME MODULATEURS DES RÉCEPTEURS DES PGE2

  摘要：

  本发明涉及公式(I)的衍生物，其中(R1)n，R2，R3，R4a，R4b，R5a，R5b和Ar1如描述中所述，其制备方法，其药学上可接受的盐，以及作为药物的用途，含有一个或多个公式(I)化合物的药物组合物，特别是作为前列腺素2受体EP2和/或EP4的调节剂的用途。

  公开号：

  WO2017085198A1

文献信息

• AZABICYCLO COMPOUND AND SALT THEREOF
  申请人：Kitade Makoto

  公开号：US20120108589A1

  公开（公告）日：2012-05-03

  It is intended to provide a novel azabicyclo compound which exhibits both HSP90 inhibitory activity and cell proliferation inhibitory effect. Specifically disclosed is a compound represented by the following general formula (I) or a salt thereof: wherein X 1 represents CH or N; any one of X 2 , X 3 and X 4 represents N, and the others represent CH; any one or two of Y 1 , Y 2 , Y 3 and Y 4 represent C—R 4 , and the others are the same or different and represent CH or N; R 1 represents an optionally substituted monocyclic or bicyclic unsaturated heterocyclic group having 1 to 4 heteroatoms selected from N, S and O; R 2 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R 3 and R 4 represent —CO—R 5 or the like.

  本发明旨在提供一种新型的azabicyclo化合物，其具有HSP90抑制活性和细胞增殖抑制作用。具体公开的是以下一般式(I)或其盐所代表的化合物：其中X1代表CH或N；X2、X3和X4中的任意一个代表N，其他代表CH；Y1、Y2、Y3和Y4中的一个或两个代表C—R4，其他者相同或不同，代表CH或N；R1代表1至4个异原子（N、S和O）的单环或双环不饱和杂环基，可选地取代；R2代表具有1至6个碳原子的烷基基团等；R3和R4代表—CO—R5或类似物。
• NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF
  申请人：Kitade Makoto

  公开号：US20130289072A1

  公开（公告）日：2013-10-31

  The present invention relates to provision of a novel indazole compound which is capable of inhibiting HSP90 and shows a cytostatic effect on cancer cells. The present invention also relates to provision of a drug useful for preventing and/or treating, on the basis of an HSP90 inhibitory effect, a disease in which HSP90 participates, in particular, cancer. A compound represented by the general formula (I) or a salt thereof: wherein X represents CH or N; any one or two of Y 1 , Y 2 , Y 3 , and Y 4 represent C—R 3 or N, and the others represent CH; A and B are the same or different and represent an optionally substituted monocyclic unsaturated heterocyclic group having 1 to 4 heteroatoms selected from N, S, and O; R 1 represents a hydrogen atom, an optionally substituted alkyl group having 1 to 6 carbon atoms etc.; R 2 represents a hydrogen atom, a halogen atom etc.; R 3 represents a hydrogen atom, a halogen atom etc.; R 4 and R 5 are the same or different and represent a hydroxyl group etc.; R 6 and R 7 are the same or different and represent a hydrogen atom, an alkyl group having 1 to 6 carbon atoms etc.; and R 8 represents an optionally substituted cycloalkyl group having 3 to 7 carbon atoms etc.

  本发明涉及提供一种新型吲唑化合物，能够抑制HSP90并对癌细胞显示细胞静止效应。本发明还涉及提供一种药物，用于基于HSP90抑制作用预防和/或治疗HSP90参与的疾病，特别是癌症。一种由通式(I)或其盐表示的化合物：其中X代表CH或N；Y1、Y2、Y3和Y4中的任意一个或两个代表C—R3或N，其余代表CH；A和B相同或不同，代表一个具有1到4个异原子（N、S和O）的可选择取代的单环不饱和杂环基；R1代表氢原子，具有1到6个碳原子等的可选择取代的烷基基团；R2代表氢原子，卤原子等；R3代表氢原子，卤原子等；R4和R5相同或不同，代表羟基等；R6和R7相同或不同，代表氢原子，具有1到6个碳原子的烷基基团等；以及R8代表具有3到7个碳原子的可选择取代的环烷基基团等。
• Azabicyclo compound and salt thereof
  申请人：Kitade Makoto

  公开号：US08779142B2

  公开（公告）日：2014-07-15

  It is intended to provide a novel azabicyclo compound which exhibits both HSP90 inhibitory activity and cell proliferation inhibitory effect. Specifically disclosed is a compound represented by the following general formula (I) or a salt thereof: wherein X1 represents CH or N; any one of X2, X3 and X4 represents N, and the others represent CH; any one or two of Y1, Y2, Y3 and Y4 represent C—R4, and the others are the same or different and represent CH or N; R1 represents an optionally substituted monocyclic or bicyclic unsaturated heterocyclic group having 1 to 4 heteroatoms selected from N, S and O; R2 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R3 and R4 represent —CO—R5 or the like.

  本发明旨在提供一种新型的azabicyclo化合物，该化合物既具有HSP90抑制活性，又具有细胞增殖抑制作用。具体披露了以下通式（I）或其盐的化合物：其中X1代表CH或N；X2、X3和X4中的任意一个代表N，其余代表CH；Y1、Y2、Y3和Y4中的任意一个或两个代表C-R4，其余相同或不同，代表CH或N；R1代表具有1至4个N、S和O杂原子的单环或双环不饱和杂环基，可以是取代的；R2代表具有1至6个碳原子的烷基基团或类似物；R3和R4代表-CO-R5或类似物。
• N-substituted indole derivatives as PGE2 receptor modulators
  申请人：Idorsia Pharmaceuticals Ltd

  公开号：US11241431B2

  公开（公告）日：2022-02-08

  The present invention relates to derivatives of formula (I) wherein (R1)n, R2, R3, R4a, R4b, R5a, R5b and Ar1 are as described in the description, to their preparation, to pharmaceutically acceptable salts thereof, and to their use as pharmaceuticals, to pharmaceutical compositions containing one or more compounds of formula (I), and especially to their use as modulators of the prostaglandin 2 receptors EP2 and/or EP4.

  本发明涉及式 (I) 的衍生物 其中 (R1)n、R2、R3、R4a、R4b、R5a、R5b 和 Ar1 如说明书所述，涉及它们的制备、它们的药学上可接受的盐，以及它们作为药物的用途、含有一种或多种式 (I) 化合物的药物组合物，特别是它们作为前列腺素 2 受体 EP2 和/或 EP4 的调节剂的用途。
• N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS
  申请人：Idorsia Pharmaceuticals Ltd

  公开号：EP3377483A1

  公开（公告）日：2018-09-26