1-甲基-3-(三氟甲基)-1H-噻吩并[2,3-c]吡唑-5-羧酸 | 338982-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 中文名称: 1-甲基-3-(三氟甲基)-1H-噻吩并[2,3-c]吡唑-5-羧酸
• 英文名称: 1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxylic acid
• 英文别名: 1-methyl-3-(trifluoromethyl)thieno[2,3-c]pyrazole-5-carboxylic acid
• CAS: 338982-15-3
• 化学式: C₈H₅F₃N₂O₂S
• mdl: MFCD01814674
• 分子量: 250.2
• InChiKey: YBJKAEFBOTWXOW-UHFFFAOYSA-N

物化性质

• 熔点：
  255-258°C

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  (S)-2-amino-N-(cyanomethyl)-4-methylpentanamide 、 4-联苯-2-氯羧酸 、 1-甲基-3-(三氟甲基)-1H-噻吩并[2,3-c]吡唑-5-羧酸 以provided 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid[1(S)-(cyanomethylcarbamoyl)-3-methylbutyl]-amide (table 1, compund 22)的产率得到1-Methyl-3-trifluoromethyl-1h-thieno[2,3-c]pyrazole-5-carboxylic acid[1(s)-(cyanomethylcarbamoyl)-3-methylbutyl]-amide
  参考文献：
  名称：

  Cyanomethyl derivatives as cysteine protease inhibitors

  摘要：

  本发明涉及氰甲基衍生物，其是半胱氨酸蛋白酶的抑制剂，特别是对于B、K、F和S型的卡特普辛，因此可用于治疗由这些蛋白酶介导的疾病。本发明还涉及包含这些化合物的制药组合物和其制备过程。

  公开号：

  US20060122184A1

文献信息

• LOW AFFINITY SCREENING METHOD
  申请人：Graffinity Pharmaceuticals Aktiengesellschaft

  公开号：EP1360489A1

  公开（公告）日：2003-11-12
• CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS
  申请人：AXYS PHARMACEUTICALS, INC.

  公开号：EP1569954A1

  公开（公告）日：2005-09-07
• Low affinity screening method
  申请人：——

  公开号：US20040082079A1

  公开（公告）日：2004-04-29

  A parallel high throughput screening method on a solid support is disclosed that allows the detection of low affinity binding partners, comprising the steps of:(a) providing a library of different ligands;(b) forming a binding matrix comprising the ligands on a solid support by immobilising said ligands on the support; (c) contacting a target of interest with said binding matrix; (d) parallely determining a binding value of the ligand/target interaction for each type of ligand comprised in the binding matrix; (e) selecting those ligands the binding value of which in an immobilised state towards the target exceeds a predetermined threshold; (f) evaluating the affinity of each of the ligands selected in step (e) in a non-immobilised state towards the target; (g) identifying at least one ligand of step (f) as low affinity binding ligand.
• [EN] LOW AFFINITY SCREENING METHOD<br/>[FR] PROCEDE DE CRIBLAGE DES FAIBLES AFFINITES
  申请人：GRAFFINITY PHARM DESIGN GMBH

  公开号：WO2002063299A1

  公开（公告）日：2002-08-15

  A parallel high throughput screening method on a solid support is disclosed that allows the detection of low affinity binding partners, comprising the steps of:(a) providing a library of different ligands;(b) forming a binding matrix comprising the ligands on a solid support by immobilising said ligands on the support; (c) contacting a target of interest with said binding matrix; (d) parallely determining a binding value of the ligand/target interaction for each type of ligand comprised in the binding matrix; (e) selecting those ligands the binding value of which in an immobilised state towards the target exceeds a predetermined threshold; (f) evaluating the affinity of each of the ligands selected in step (e) in a non-immobilised state towards the target; (g) identifying at least one ligand of step (f) as low affinity binding ligand.
• [EN] CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS<br/>[FR] DERIVES DE CYANOMETHYLE EN TANT QU'INHIBITEURS DE LA PROTEASE A CYSTEINE
  申请人：AXYS PHARM INC

  公开号：WO2004052921A1

  公开（公告）日：2004-06-24

  The present invention is directed to cyanomethyl derivatives that are inhibitors of cysteine protease, in particular, cathepsins B, K, L, F, and S and are therefore useful in treating diseases mediated by these proteases. The present invention is directed to pharmaceutical compositions comprising these compounds and processes for preparing them.