N-(4-(2-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N'-(3-methylphenyl)urea | 153192-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烯杂卓类
• 英文名称: N-(4-(2-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N'-(3-methylphenyl)urea
• 英文别名: 1-[7-(2-Chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-3-(3-methylphenyl)urea
• CAS: 153192-71-3
• 化学式: C₂₅H₂₃ClN₆OS
• 分子量: 491.016
• InChiKey: YZTQDLBQLCAVJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0638560A1

  公开（公告）日：1995-02-15

  A remedy for osteoporosis containing a diazepine compound represented by general formula (I) or a pharmaceutically acceptable salt thereof as the active ingredient; a method of treating osteoporosis by administering the above compound; and the use of the compound for preparing a remedy for osteoporosis in formula (I) Ar represents aryl or heteroaryl; X represents oxygen or sulfur; W represents -N(R³⁶)-, -O- or -S-; Q represents a ring selected among (a), (b), (c) and (d), X and Y may be combined together to form =N-N=C(R⁶)-, =N-C(R⁵)=C(R⁶)-, =C(R⁵)-N=C(R⁶)-, =N-O-CO- or =N-N(R⁵)-CO-.

  一种治疗骨质疏松症的药物，含有通式(I)代表的二氮杂卓化合物或其药学上可接受的盐作为活性成分；一种通过施用上述化合物治疗骨质疏松症的方法；以及该化合物用于制备骨质疏松症药物的用途，在式(I)中 Ar 代表芳基或杂芳基；X代表氧或硫； W代表-N(R³⁶)-、-O-或-S-；Q 代表选自(a)、(b)、(c)和(d)的环，X 和 Y 可结合在一起形成 =N-N=C(R⁶)-、=N-C(R⁵)=C(R⁶)-、=C(R⁵)-N=C(R⁶)-、=N-O-CO- 或 =N-N(R⁵)-CO-。
• CELL ADHESION INHIBITOR AND THIENOTRIAZOLODIAZEPINE COMPOUND
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0692483A1

  公开（公告）日：1996-01-17

  A thienotriazolodiazepine compound such as N-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl))-N'-(2-methoxyphenyl)urea, an optically active isomer or a pharmaceutically acceptable salt thereof, and a cell adhesion inhibitor comprising said compound as the active ingredient. This compound has the effect of inhibiting cell adhesion and hence is expected to be useful in the prevention and treatment of, for example, various inflammatory diseases, allergic diseases and articular rheumatism in the onset and progress of which cell adhesion participates. Further, it is usable for preventing and treating autoimmune diseases and rejection reactions accompanying organ transplantation and, furthermore, for preventing the metastasis of tumor cells.

  一种噻吩三唑类二氮杂卓化合物，如 N-(4-(4-氯苯基)-2,3,9-三甲基-6H-噻吩并[3,2-f][1,2,4]三唑并[4,3-a][1,4]二氮杂卓-6-基))-N'-(2-甲氧基苯基)脲、其光学活性异构体或其药学上可接受的盐，以及以上述化合物为活性成分的细胞粘附抑制剂。这种化合物具有抑制细胞粘附的作用，因此有望用于预防和治疗各种炎症性疾病、过敏性疾病和关节风湿病等，细胞粘附参与了这些疾病的发病和进展。此外，它还可用于预防和治疗自身免疫性疾病和器官移植时的排异反应，以及预防肿瘤细胞的转移。
• US5593988A
  申请人：——

  公开号：US5593988A

  公开（公告）日：1997-01-14