3-chloro-2-cyanobenzoic acid | 1254073-93-2

• 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-chloro-2-cyanobenzoic acid
• CAS: 1254073-93-2
• 化学式: C₈H₄ClNO₂
• 分子量: 181.578
• InChiKey: KVZUULWDZYNNCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-chloro-2-cyanobenzoic acid 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以42%的产率得到2-chloro-6-(hydroxymethyl)benzonitrile
  参考文献：
  名称：

  Compounds Useful as Immunomodulators

  摘要：

  本公开涉及一般用作免疫调节剂的化合物。提供的是包含这些化合物的化合物、组合物以及它们的使用方法。本公开还涉及包含至少一种根据本公开的化合物的药物组合物，用于治疗各种疾病，包括癌症和传染病。

  公开号：

  US20150291549A1
• 作为产物：
  描述：

  2-氨基-3-氯苯甲酸 在 盐酸 、 lithium hydroxide monohydrate 、 硫酸 、 水 、 sodium nitrite 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 55.25h， 生成 3-chloro-2-cyanobenzoic acid
  参考文献：
  名称：

  Compounds Useful as Immunomodulators

  摘要：

  本公开涉及一般用作免疫调节剂的化合物。提供的是包含这些化合物的化合物、组合物以及它们的使用方法。本公开还涉及包含至少一种根据本公开的化合物的药物组合物，用于治疗各种疾病，包括癌症和传染病。

  公开号：

  US20150291549A1

文献信息

• [EN] 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS<br/>[FR] DÉRIVÉS DE 5,6,7,8-TÉTRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE COMME MODULATEURS DE P2X7
  申请人：GLAXO GROUP LTD

  公开号：WO2010125102A1

  公开（公告）日：2010-11-04

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein A is hydrogen, C1-4alkyl, C3-6cycloalkyl, C1-3alkoxy, C1-3alkoxy C1-4alkyl, C1-2fluoroalkyl, halogen, NR6 R7, optionally substituted heteroaryl (Het), or optionally substituted phenyl, and R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

  本发明提供了一种式(I)化合物或其药学上可接受的盐，其中A为氢、C1-4烷基、C3-6环烷基、C1-3烷氧基、C1-3烷氧基C1-4烷基、C1-2氟烷基、卤素、NR6 R7、任选取代的杂芳基(Het)或任选取代的苯基，且R1、R2、R3、R4、R5、R6和R7如说明书中所定义。这些化合物或盐被认为能够调节P2X7受体功能，并能拮抗ATP在P2X7受体上的作用。本发明还提供了该化合物或盐在治疗或预防例如炎症性疼痛、神经性疼痛、内脏疼痛、类风湿性关节炎、骨关节炎或神经退行性疾病中的用途。
• 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS
  申请人：Dean David Kenneth

  公开号：US20120157436A1

  公开（公告）日：2012-06-21

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein A is hydrogen, C 1-4 alkyl, C 3-6 cycloalkyl, C 1-3 alkoxy, C 1-3 alkoxy C 1-4 alkyl, C 1-2 -fluoroalkyl, halogen, NR 6 R 7 , optionally substituted heteroaryl, or optionally substituted phenyl, and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

  本发明提供了式（I）的化合物或其药学上可接受的盐： 其中，A为氢、C1-4烷基、C3-6环烷基、C1-3烷氧基、C1-3烷氧基C1-4烷基、C1-2氟代烷基、卤素、NR6R7、可选取代杂环芳基或可选取代苯基；R1、R2、R3、R4、R5、R6和R7如描述中所定义。 这些化合物或盐被认为可以调节P2X7受体功能，并能够拮抗P2X7受体上ATP的作用。本发明还提供了该化合物或盐在治疗或预防炎症性疼痛、神经病理性疼痛、内脏疼痛、类风湿性关节炎、骨关节炎或神经退行性疾病中的应用。
• Aminopyridine derivatives having aurora a selective inhibitory action
  申请人：MSD K.K.

  公开号：US08101621B2

  公开（公告）日：2012-01-24

  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.

  本发明涉及一种通式I的化合物：其中：n1和n2相同或不同，为0或1；R为芳基，杂环芳基等；Re为氢原子或低碳基；从四个组成的Ra1和Ra1'、Ra2和Ra2'、Rb1和Rb1'、Rb2和Rb2'中选择两个组合成—(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，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。
• 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators
  申请人：Dean David Kenneth

  公开号：US08501946B2

  公开（公告）日：2013-08-06

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein A is hydrogen, C1-4alkyl, C3-6cycloalkyl, C1-3alkoxy, C1-3alkoxy C1-4alkyl, C1-2fluoroalkyl, halogen, NR6R7, optionally substituted heteroaryl (Het), or optionally substituted phenyl, and R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

  本发明提供了一个式（I）的化合物或其药学上可接受的盐：其中A为氢、C1-4烷基、C3-6环烷基、C1-3烷氧基、C1-3烷氧基C1-4烷基、C1-2氟代烷基、卤素、NR6R7、可选取代的杂环芳基（Het）或可选取代的苯基，而R1、R2、R3、R4、R5、R6和R7如描述中所定义。这些化合物或盐被认为可以调节P2X7受体功能，并且能够拮抗P2X7受体上ATP的作用。本发明还提供了该化合物或盐在治疗或预防例如炎症性疼痛、神经病理性疼痛、内脏疼痛、类风湿性关节炎、骨关节炎或神经退行性疾病中的用途。
• 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。