1-{4-[5-(butyl{[(2-chloropyridin-3-yl)amino]carbonyl}amino)-1,3,4-thiadiazol-2-yl]benzyl}azetidine-3-carboxylic acid | 1282614-43-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-{4-[5-(butyl{[(2-chloropyridin-3-yl)amino]carbonyl}amino)-1,3,4-thiadiazol-2-yl]benzyl}azetidine-3-carboxylic acid
• 英文别名: 1-[[4-[5-[Butyl-[(2-chloropyridin-3-yl)carbamoyl]amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
• CAS: 1282614-43-0
• 化学式: C₂₃H₂₅ClN₆O₃S
• 分子量: 501.009
• InChiKey: FALQMDSCYTYBMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• New thiadiazole derivatives
  申请人：Almirall, S.A.

  公开号：EP2305660A1

  公开（公告）日：2011-04-06

  The present invention relates to thiadiazole derivatives of formula (I), to processes for their preparation and to pharmaceutical compositions containing them. These compounds are potent agonists of S1P1 receptors and thus, they are useful in the treatment, prevention or suppression of diseases and disorders known to be susceptible to improvement by sphingosine-1-phosphate receptors agonists (S1P1), such as autoimmune diseases, chronic immune and inflammatory diseases, transplant rejection, malignant neoplastic diseases, angiogenic-related disorders, pain, neurological diseases, viral and infectious diseases.

  本发明涉及式(I)的噻二唑衍生物，它们的制备过程以及包含它们的药物组合物。这些化合物是S1P1受体的强激动剂，因此，它们可用于治疗、预防或抑制那些已知可通过鞘氨醇-1-磷酸受体激动剂（S1P1）改善的疾病和失调，例如自身免疫性疾病、慢性免疫和炎症性疾病、移植排斥反应、恶性肿瘤疾病、与血管生成相关的失调、疼痛、神经系统疾病、病毒和感染性疾病。
• [EN] NEW THIADIAZOLE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE THIADIAZOLE
  申请人：ALMIRALL SA

  公开号：WO2011035900A1

  公开（公告）日：2011-03-31

  The present invention relates to thiadiazole derivatives of formula (I), to processes for their preparation and to pharmaceutical compositions containing them. These compounds are potent agonists of S1P1 receptors and thus, they are useful In the treatment, prevention or suppression of diseases and disorders known to be susceptible to improvement by sphingosine-1-phosphate receptors agonists (S1P1), such as autoimmune diseases, chronic immune and inflammatory diseases, transplant rejection, malignant neoplastic diseases, angiogenic-related disorders, pain, neurological diseases, viral and infectious diseases.

  本发明涉及式(I)的噻二唑衍生物，其制备过程以及包含它们的药物组合物。这些化合物是S1P1受体的强激动剂，因此它们可用于治疗、预防或抑制那些已知可通过激动鞘氨醇-1-磷酸受体（S1P1）得到改善的疾病和失调，例如自身免疫性疾病、慢性免疫和炎症性疾病、移植排斥反应、恶性肿瘤、与血管生成相关的失调、疼痛、神经疾病、病毒性和传染性疾病。