2,4-dichloro-5-mercapto-benzoic acid methyl ester | 887510-06-7

• 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: 2,4-dichloro-5-mercapto-benzoic acid methyl ester
• 英文别名: Methyl 2,4-dichloro-5-sulfanylbenzoate
• CAS: 887510-06-7
• 化学式: C₈H₆Cl₂O₂S
• 分子量: 237.106
• InChiKey: CRSRPQAEFYXHAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors
  申请人：Lal Bansi

  公开号：US20070299051A1

  公开（公告）日：2007-12-27

  Guanidine derivatives having a condensed tricyclic ring of formula 1: are disclosed, wherein U is C(O), CR a R b , O, NR a or S(O) m ; V is CR a R b or NR a ; W is S(O) m ; wherein R a is H, alkyl, cycloalkyl, alkenyl or aralkyl; R b is H, alkyl, OH, OR a or OCOR a , and m is the integer 0, 1 or 2; R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein with the proviso that at least one of R1, R2, R3, R4, R5, R6, R7 or R8 is guanidino or guanidino carbonyl. These derivatives are sodium-proton exchange inhibitors and are useful as medicaments for the treatment of, for example, organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy, hypertension, cell proliferative disorders and diabetes.

  本发明公开了具有式1的紧凑三环环的胍衍生物，其中U为C（O），CRaRb，O，NRa或S（O）m; V为CRaRb或NRa; W为S（O）m;其中Ra为H，烷基，环烷基，烯基或芳基烷基; Rb为H，烷基，OH，ORa或OCORa，m为整数0、1或2; R1、R2、R3、R4、R5、R6、R7和R8如定义所述，但至少其中之一为胍基或胍基羰基。这些衍生物是钠-质子交换抑制剂，可用作治疗与缺血再灌注相关的器官疾病、心律失常、心肌肥大、高血压、细胞增殖性疾病和糖尿病等疾病的药物。
• TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS
  申请人：LAL Bansi

  公开号：US20100267690A1

  公开（公告）日：2010-10-21

  Guanidine derivatives having a condensed tricyclic ring of formula 1: are disclosed, wherein U is C(O), CR a R b , O, NR a or S(O) m ; V is CR a R b or NR a ; W is S(O) m ; wherein R a is H, alkyl, cycloalkyl, alkenyl or aralkyl; R b is H, alkyl, OH, OR a or OCOR a , and m is the integer 0, 1 or 2; R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein with the proviso that at least one of R1, R2, R3, R4, R5, R6, R7 or R8 is guanidino or guanidino carbonyl. These derivatives are sodium-proton exchange inhibitors and are useful as medicaments for the treatment of, for example, organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy, hypertension, cell proliferative disorders and diabetes.

  本发明揭示了具有公式1的紧凑三环环的脲基衍生物，其中U为C（O），CRaRb，O，NRa或S（O）m；V为CRaRb或NRa；W为S（O）m；其中Ra为H，烷基，环烷基，烯基或芳基烷基；Rb为H，烷基，OH，ORa或OCORa，m为整数0、1或2；R1、R2、R3、R4、R5、R6、R7和R8如本文所定义，但至少有一个为脲基或脲基羰基。这些衍生物是钠-质子交换抑制剂，可用作治疗与缺血再灌注有关的器官疾病、心律失常、心肌肥大、高血压、细胞增殖性疾病和糖尿病等疾病的药物。
• US7834001B2
  申请人：——

  公开号：US7834001B2

  公开（公告）日：2010-11-16
• US8183234B2
  申请人：——

  公开号：US8183234B2

  公开（公告）日：2012-05-22
• [EN] TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS<br/>[FR] DERIVES DE GUANIDINE TRICYCLIQUES EN TANT QU'INHIBITEURS D'ECHANGE DE PROTONS DE SODIUM
  申请人：NICHOLAS PIRAMAL INDIA LTD

  公开号：WO2006051476A1

  公开（公告）日：2006-05-18

  [EN] Guanidine derivatives having a condensed tricyclic ring of formula 1: are disclosed, wherein U is C(O), CR^aR^b, O, NR^a or S(O)_m V is CR^aR^b or NR^a; W is S(O)_m ; wherein R^a is H, alkyl, cycloalkyl, alkenyl or aralkyl; R^b is H, alkyl, OH, OR^a or OCOR^a, and m is the integer 0, 1 or 2; R1, R2, R3, R4, R5, R6, R7 and R8 are as defined herein with the proviso that at least one of R1, R2, R3, R4, R5, R6, R7 or R8 is guanidino or guanidino carbonyl. These derivatives are sodium-proton exchange inhibitors and are useful as medicaments for the treatment of, for example, organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy, hypertension, cell proliferative disorders and diabetes.
  [FR] L'invention concerne des dérivés de guanidine possédant un anneau tricyclique condensé de formule (1), dans laquelle U représente C(O), CR^aR^b, O, NR^a ou S(O)_m V représente CR^aR^b ou NR^a, W représente S(O)_m, où R^a représente H, alkyle, cycloalkyle, alcényle ou aralkyle, R^b représente H, alkyle, OH, OR^a ou OCOR^a, et m est un nombre entier 0, 1 ou 2, R1, R2, R3, R4, R5, R6, R7 et R8 étant tels que définis à condition qu'au moins un élément parmi R1, R2, R3, R4, R5, R6, R7 ou R8 représente guanidino ou guanidino carbonyle. Ces dérivés constituent des inhibiteurs d'échange de protons du sodium et sont utilisés en tant que médicaments dans le traitement, par exemple, de troubles d'organes associés à une ischémie et à une reperfusion, à une arythmie cardiaque, à une hypertrophie cardiaque, à une hypertension, à des troubles prolifératifs cellulaires et à des diabètes.