C-benzo[1,2,5]thiadiazol-5-yl-methylamine; hydrochloride | 74375-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻二唑类
• 英文名称: C-benzo[1,2,5]thiadiazol-5-yl-methylamine; hydrochloride
• 英文别名: C-Benzo[1,2,5]thiadiazol-5-yl-methylamin; Hydrochlorid；benzo[c][1,2,5]thiadiazol-5-ylMethanaMine hydrochloride；2,1,3-benzothiadiazol-5-ylmethanamine;hydrochloride
• CAS: 74375-65-8
• 化学式: C₇H₇N₃S*ClH
• 分子量: 201.68
• InChiKey: CPKZPHZWTJQDGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.57
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  C-benzo[1,2,5]thiadiazol-5-yl-methylamine; hydrochloride 、 sodium hydroxide 以52%的产率得到
  参考文献：
  名称：

  SHARMA K. S.; SINGH V., INDIAN J. CHEM., 1979, B 18, NO 6, 556-557

  摘要：

  DOI：
• 作为产物：
  描述：

  5-甲基苯并-2,1,3-噻唑 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 C-benzo[1,2,5]thiadiazol-5-yl-methylamine; hydrochloride
  参考文献：
  名称：

  Studies on the Antitubercular Compounds. XVI. Preparation of Some Derivatives of 2,1,3-Benzothiadiazole

  摘要：

  DOI：

  10.1246/bcsj.32.551

文献信息

• BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS
  申请人：Dyer Dennis Richard

  公开号：US20060040957A1

  公开（公告）日：2006-02-23

  Selective MMP-13 inhibitors are bicyclic pyrimidines of the Formula I or a pharmaceutically acceptable salt thereof, wherein R 1 is hydrogen or alkyl; R 2 , R 3 , and R 4 include hydrogen, halo, alkyl, C≡C(CH 2 ) m aryl, CO 2 alkyl, CO 2 (CH 2 ) m aryl, COHN alkyl, and CONH(CH 2 ) m aryl; and X is O, S, SO, SO 2 , CH 2 , C═O, CHOH, NH, or NR 5 . A compound of Formula I, or a pharmaceutically acceptable salt thereof, is useful for treating cancer or arthritis.

  选择性MMP-13抑制剂是公式I的双环嘧啶或其药学上可接受的盐，其中R1为氢或烷基；R2，R3和R4包括氢，卤素，烷基，C≡C（CH2）芳基，CO2烷基， （ ）芳基，COHN烷基和CONH（ ）芳基；X为O，S，SO，SO2， ，C═O，CHOH，NH或NR5。公式I的化合物或其药学上可接受的盐，可用于治疗癌症或关节炎。
• Benzo thiadiazine matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20020156069A1

  公开（公告）日：2002-10-24

  Selective MMP-13 inhibitors are benzo thiadiazines of the Formula 1 or a pharmaceutically acceptable salt thereof, wherein R 2 is hydrogen or alkyl; R 1 and R 3 include hydrogen, alkyl, and aryl, with the proviso that R 3 is not (CH 2 ) m biphenyl or (CH 2 ) m substituted biphenyl; X is O or NH, n is 0, 1, or 2. The compounds of Formula I, or a pharmaceutically acceptable salt thereof, is useful for treating diseases mediated by an MMP-13 enzyme, including diseases selected from osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure.

  选择性MMP-13抑制剂是公式1中的苯并噻二唑或其药学上可接受的盐，其中R2是氢或烷基；R1和R3包括氢，烷基和芳基，但有条件是R3不是（CH2）m联苯或（ ）m取代联苯；X是O或NH，n为0、1或2。公式I中的化合物或其药学上可接受的盐对于治疗由MMP-13酶介导的疾病有用，包括骨关节炎、类风湿性关节炎、癌症、炎症和心力衰竭等疾病。
• BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS
  申请人：Warner-Lambert Company LLC

  公开号：EP1368327A1

  公开（公告）日：2003-12-10
• US6656932B2
  申请人：——

  公开号：US6656932B2

  公开（公告）日：2003-12-02
• [EN] BENZO THIADIAZINE MATRIX METALLOPROTEINASE INHIBITORS<br/>[FR] BENZO-THIADIAZINES INHIBITRICES DES METALLOPROTEINASES MATRICIELLES
  申请人：WARNER LAMBERT CO

  公开号：WO2002064578A1

  公开（公告）日：2002-08-22

  Selective MMP-13 inhibitors are benzo thiadiazines of the Formula (I) or a pharmaceutically acceptable salt thereof, wherein R2 is hydrogen or alkyl; R?1 and R3¿ include hydrogen, alkyl, and aryl, with the proviso that R3 is not (CH¿2?)m biphenyl or (CH2)m substituted biphenyl; X is O or NH, n is 0, 1, or 2. The compounds of Formula (I), or a pharmaceutically acceptable salt thereof, are useful for treating diseases mediated by an MMP-13 enzyme, including diseases selected from osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure.