4-chloro-6-methyl-10,10-dioxo-2-(2-piperidin-1-yl-ethylamino)-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester | 887508-95-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶英
• 英文名称: 4-chloro-6-methyl-10,10-dioxo-2-(2-piperidin-1-yl-ethylamino)-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
• 英文别名: 4-Chloro-6-methyl-10,10-dioxo-2-(2-piperidin-1-yl-ethylamino)-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester；methyl 10-chloro-1-methyl-5,5-dioxo-8-(2-piperidin-1-ylethylamino)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate
• CAS: 887508-95-4
• 化学式: C₂₃H₂₇ClN₂O₅S
• 分子量: 478.997
• InChiKey: MFYGYUVGICKTOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-chloro-6-methyl-10,10-dioxo-2-(2-piperidin-1-yl-ethylamino)-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester 、 三甲基乙酰氯 在 碳酸氢钠 作用下， 以 氯仿 、 水 为溶剂， 反应 1.0h， 以62%的产率得到4-chloro-2-[(2,2-dimethyl-propionyl)-(2-piperidin-1-yl-ethyl)-amino]-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2006/51476

  摘要：

  公开号：
• 作为产物：
  描述：

  哌嗪 、 4-chloro-2-(2-chloro-ethylamino)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以48%的产率得到4-chloro-6-methyl-10,10-dioxo-2-(2-piperidin-1-yl-ethylamino)-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2006/51476

  摘要：

  公开号：

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：Piramal Life Sciences Limited

  公开号：US08183234B2

  公开（公告）日：2012-05-22

  Guanidine derivatives having a condensed tricyclic ring of formula 1: are disclosed, wherein U is C(O), CRaRb, O, NRa or S(O)m; V is CRaRb or NRa; W is S(O)m; wherein Ra is H, alkyl, cycloalkyl, alkenyl or aralkyl; Rb is H, alkyl, OH, ORa or OCORa, 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 guanidinocarbonyl. 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.

  揭示了具有公式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如此定义，但其中至少有一个是胍基或胍基羰基。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。