1H-咪唑并[4,5-C]吡啶-4-甲腈 | 1078168-19-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 中文名称: 1H-咪唑并[4,5-C]吡啶-4-甲腈
• 英文名称: 1H-Imidazo[4,5-C]pyridine-4-carbonitrile
• CAS: 1078168-19-0
• 化学式: C₇H₄N₄
• mdl: MFCD17015949
• 分子量: 144.136
• InChiKey: WQQPZHMVRHAQLD-UHFFFAOYSA-N

物化性质

• 沸点：
  540.9±30.0 °C(Predicted)
• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1H-咪唑并[4,5-C]吡啶-4-甲腈 在 水 作用下， 以 1,4-二氧六环 为溶剂， 生成 1H-咪唑并[4,5-c]吡啶-4-羧酸
  参考文献：
  名称：

  Structure-guided design of substituted aza-benzimidazoles as potent hypoxia inducible factor-1α prolyl hydroxylase-2 inhibitors

  摘要：

  We report the structure-based design and synthesis of a novel series of aza-benzimidazoles as PHD2 inhibitors. These efforts resulted in compound 22, which displayed highly potent inhibition of PHD2 function in vitro. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.012
• 作为产物：
  描述：

  三甲基氰硅烷 、 5-hydroxyimidazo[4,5-c]pyridine 在 二甲氨基甲酰氯 作用下， 以 二氯甲烷 为溶剂， 生成 1H-咪唑并[4,5-C]吡啶-4-甲腈
  参考文献：
  名称：

  Structure-guided design of substituted aza-benzimidazoles as potent hypoxia inducible factor-1α prolyl hydroxylase-2 inhibitors

  摘要：

  We report the structure-based design and synthesis of a novel series of aza-benzimidazoles as PHD2 inhibitors. These efforts resulted in compound 22, which displayed highly potent inhibition of PHD2 function in vitro. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.012

文献信息

• [EN] 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS<br/>[FR] DÉRIVÉS DE 6-PHÉNYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE COMME INHIBITEUR DE LA CATHEPSINE
  申请人：ORGANON NV

  公开号：WO2009010491A1

  公开（公告）日：2009-01-22

  The present invention relates to 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives having the general Formula (I), to pharmaceutical compositions comprising the same as well as to the use of these derivatives for the preparation of a medicament for the treatment of cathepsin S related diseases such asatherosclerosis,obesity, inflammation and immune disorders, such as rheumatoid arthritis, psoriasis, cancer,and chronic pain, such as neuropathic pain.

  本发明涉及具有通式（I）的6-苯基-1H-咪唑[4,5-c]吡啶-4-碳腈衍生物，以及包含相同的药物组合物，以及利用这些衍生物制备用于治疗与S蛋白酶相关疾病的药物，如动脉粥样硬化、肥胖、炎症和免疫紊乱，如类风湿性关节炎、牛皮癣、癌症和慢性疼痛，如神经病性疼痛。
• [EN] 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS<br/>[FR] DÉRIVÉS DE 6-PHÉNYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE EN TANT QU'INHIBITEURS DE LA CATHEPSINE S ET/OU DE LA CATHEPSINE K
  申请人：ORGANON NV

  公开号：WO2010081859A1

  公开（公告）日：2010-07-22

  The present invention relates to 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives having the general Formula (I) to pharmaceutical compositions comprising the same as well as to the use of these derivatives for the preparation of a medicament for the treatment of cathepsin S related diseases such as atherosclerosis, obesity, inflammation and immune disorders, such as rheumatoid arthritis, psoriasis, cancer, and chronic pain, such as neuropathic pain.

  本发明涉及具有通式（I）的6-苯基-1H-咪唑[4,5-c]吡啶-4-碳腈衍生物，以及包含它们的药物组合物，以及利用这些衍生物制备用于治疗与S蛋白酶相关疾病的药物，如动脉粥样硬化、肥胖、炎症和免疫紊乱，如类风湿性关节炎、牛皮癣、癌症和慢性疼痛，如神经病性疼痛。
• [EN] 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES<br/>[FR] DERIVES DE 1H-[1,2,3]TRIAZOLO[4,5-C]PYRIDINE-4-CARBONITRILE
  申请人：ORGANON NV

  公开号：WO2011086125A1

  公开（公告）日：2011-07-21

  The invention relates to 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derived Cathepsin S inhibitors of Formula (I), wherein R1 is H or (C1-3)alkyl; R2 is halogen or (C1-4)alkyl, optionally substituted with one or more halogens; n is 1 -3; X is O or CH2; U, V and W are CH; or one of U, V and W is N; Y is a group capable of interacting with the Sn....S2 substites of the active site of Cathepsin S; or a pharmaceutically acceptable salt thereof, to pharmaceutical compositions comprising the same as well as to the use of these derivatives for the preparation of a medicament for the treatment of cathepsin S related diseases such as atherosclerosis, obesity, inflammation and immune disorders, such as rheumatoid arthritis, psoriasis, cancer, and chronic pain, such as neuropathic pain.

  该发明涉及到1H-[1,2,3]三唑并[4,5-c]吡啶-4-碳腈衍生的Cathepsin S抑制剂的化合物(I)的公式，其中R1为H或(C1-3)烷基；R2为卤素或(C1-4)烷基，可选地取代一个或多个卤素；n为1-3；X为O或CH2；U、V和W为CH；或者U、V和W中的一个为N；Y为能够与Cathepsin S活性位点的Sn....S2取代基相互作用的基团；或其药学上可接受的盐，以及包含它们的药物组合物，以及这些衍生物用于制备用于治疗与Cathepsin S相关疾病的药物，如动脉粥样硬化、肥胖、炎症和免疫紊乱，如类风湿关节炎、牛皮癣、癌症和慢性疼痛，如神经病性疼痛。
• 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES
  申请人：Cai Jiaqiang

  公开号：US20120283239A1

  公开（公告）日：2012-11-08

  The invention relates to 1H-[1,2,3]triazolo[4,5-c]pyridine-4-carbonitrile derived Cathepsin S inhibitors of Formula (I), wherein R 1 is H or (C 1-3 )alkyl; R 2 is halogen or (C 1-4 )alkyl, optionally substituted with one or more halogens; n is 1-3; X is O or CH 2 ; U, V and W are CH; or one of U, V and W is N; Y is a group capable of interacting with the S n . . . S 2 substites of the active site of Cathepsin S; or a pharmaceutically acceptable salt thereof, to pharmaceutical compositions comprising the same as well as to the use of these derivatives for the preparation of a medicament for the treatment of cathepsin S related diseases such as atherosclerosis, obesity, inflammation and immune disorders, such as rheumatoid arthritis, psoriasis, cancer, and chronic pain, such as neuropathic pain.

  本发明涉及公式（I）中的1H-[1,2,3]三唑并[4,5-c]吡啶-4-羧腈衍生的Cathepsin S抑制剂，其中R1为H或（C1-3）烷基；R2为卤素或（C1-4）烷基，可选地取代一个或多个卤素；n为1-3；X为O或CH2；U、V和W为CH；或其中之一为N；Y为能够与Cathepsin S活性位点的Sn...S2取代基相互作用的基团；或其药学上可接受的盐，以及包含它们的制药组合物，以及这些衍生物用于制备治疗Cathepsin S相关疾病的药物，例如动脉粥样硬化、肥胖症、炎症和免疫性疾病，如类风湿性关节炎、银屑病、癌症和慢性疼痛，如神经病理性疼痛。
• 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS
  申请人：N.V. Organon

  公开号：EP1979351A1

  公开（公告）日：2008-10-15