3-({5-[(6-Amino-pyridin-3-ylmethyl)-carbamoyl]-thiophene-2-carbonyl}-amino)-2-benzenesulfonylamino-propionic acid trifluoroacetic acid salt | 253681-95-7

• 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-({5-[(6-Amino-pyridin-3-ylmethyl)-carbamoyl]-thiophene-2-carbonyl}-amino)-2-benzenesulfonylamino-propionic acid trifluoroacetic acid salt
• 英文别名: 3-[[5-[(6-Aminopyridin-3-yl)methylcarbamoyl]thiophene-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid;2,2,2-trifluoroacetic acid
• CAS: 253681-95-7
• 化学式: C₂HF₃O₂*C₂₁H₂₁N₅O₆S₂
• 分子量: 617.584
• InChiKey: SKCPFKAVEZVFQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.45
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  255
• 氢给体数：
  6
• 氢受体数：
  15

文献信息

• Thiophene and furan 2,5-dicarboxamides useful in the treatment of cancer
  申请人：BioChem Pharma Inc.

  公开号：US20020137947A1

  公开（公告）日：2002-09-26

  A novel compound which inhibits certain integrins, particularly &agr; v integrins. Additionally, the novel compound may be used in a method of treating tumors or cancer which comprises administering a pharmaceutically effective amount of the compound to a patient. Additionally, the novel compound may be used in a method of inhibiting angiogensis. Finally, a method of producing the novel compound is disclosed.

  一种新的化合物，可以抑制某些整合素，特别是αv整合素。此外，这种新化合物可用于治疗肿瘤或癌症的方法，包括向患者施用化合物的药效有效量。此外，这种新化合物可用于抑制血管生成的方法。最后，还披露了一种生产这种新化合物的方法。
• THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER
  申请人：BIOCHEM PHARMA INC

  公开号：EP1091952A1

  公开（公告）日：2001-04-18
• US6960594B2
  申请人：——

  公开号：US6960594B2

  公开（公告）日：2005-11-01
• [EN] THIOPHENE AND FURAN 2,5-DICARBOXAMIDES USEFUL IN THE TREATMENT OF CANCER<br/>[FR] 2,5-DICARBOXAMIDES DE THIOPHENE ET DE FURANNE UTILES POUR LE TRAITEMENT DU CANCER
  申请人：IAF BIOCHEM INT

  公开号：WO2000000486A1

  公开（公告）日：2000-01-06

  The present invention relates to thiophene compounds having anticancer activity. In particular, compounds of formula (a) wherein G1, G2, G3, G4, G5, G6, G7, A1, A2, and X are as defined herein, are useful in the treatment of solid tumors in mammals.