N-[[4-(4-Methylbenzoylmethyl)phenyl]sulfonyl]-D-alanine | 200295-10-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: N-[[4-(4-Methylbenzoylmethyl)phenyl]sulfonyl]-D-alanine
• 英文别名: (2R)-2-[[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl]sulfonylamino]propanoic acid
• CAS: 200295-10-9
• 化学式: C₁₈H₁₉NO₅S
• 分子量: 361.419
• InChiKey: TXEWNVJVTZDTTR-CYBMUJFWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• PHENYLSULFONAMIDE DERIVATIVES
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP0915086A1

  公开（公告）日：1999-05-12

  A phenylsulfonamide derivative of formula (I) (wherein R1 is H, alkyl; R2 is COOR3, CONHOR4; E is vinylene, ethynylene; A is H, alkyl, a carbocyclic ring, a heterocyclic ring; J is a single bond, aklylene; R9, R10 is H, (substituted) alkyl, COR11, a carbocyclic ring, a heterocyclic ring etc.; R20 is H, (substituted) alkyl etc.) and a non-toxic salt thereof, and a process for the preparation thereof, a matrix metalloproteinase inhibitor containing a compound above, and an agent for prevention and/or treatment of rheumatoid diseases, arthrosteitis, unusual bone resorption, osteoporosis, periodontitis, intestitial nephritis, arteriosclerosis, pulmonary emphysema, cirrhosis, cornea injury, metastasis or invasion of tumor cells, a disease induced by proliferation of tumor cells, an autoimmune disease (Crohn's disease or Sjogren's syndrome), diseases caused by vascular emigration and infiltration of leukocytes, or arterialization.

  式 (I) 的苯磺酰胺衍生物 (其中 R1 是 H、烷基；R2 是 COOR3、CONHOR4；E 是乙烯基、乙炔基；A 是 H、烷基、碳环、杂环；J 是单键、链烯；R9、R10 是 H、(取代)烷基、COR11、碳环、杂环等；R20 是 H、(取代)烷基等。)及其无毒盐，以及其制备方法，一种含有上述化合物的基质金属蛋白酶抑制剂，以及一种预防和/或治疗类风湿病、关节炎、异常骨吸收、骨质疏松症、牙周炎、肠肾炎、动脉硬化、肺动脉粥样硬化、骨质疏松症、牙周炎、肠肾炎的药物、动脉硬化、肺气肿、肝硬化、角膜损伤、肿瘤细胞转移或侵袭、肿瘤细胞增殖诱发的疾病、自身免疫性疾病（克罗恩病或 Sjogren 综合征）、白细胞血管移行和浸润引起的疾病或动脉化。