5-oxo-5,11-dihydro-10-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester | 67667-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫平类
• 英文名称: 5-oxo-5,11-dihydro-10-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
• 英文别名: methyl 11-oxo-6,11-dihydrodibenzo[b,e]thiepin-3-carboxylate；methyl 11-oxo-6H-benzo[c][1]benzothiepine-3-carboxylate
• CAS: 67667-05-4
• 化学式: C₁₆H₁₂O₃S
• 分子量: 284.335
• InChiKey: CONGOQHEXPEIRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-oxo-5,11-dihydro-10-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以83%的产率得到5,10,10-trioxo-10,11-dihydro-5H-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
  参考文献：
  名称：

  WO2006/51477

  摘要：

  公开号：

文献信息

• Tricyclic compounds
  申请人：Kyowa Hakko Kogyo

  公开号：US05378701A1

  公开（公告）日：1995-01-03

  A tricyclic compound represented by the following formula (I): ##STR1## wherein R.sup.1 represents hydrogen, halogen or lower alkyl; A represents cyano, carboxyl, tetrazolyl, cyano-substituted phenyl, carboxyl-substituted phenyl or tetrazolyl-substituted phenyl; V represents --(CH.sub.2).sub.m -- wherein m is an integer of 0 to 2; W represents ##STR2## and Q.sup.1 --Q.sup.2 --Q.sup.3 --Q.sup.4 represents N.dbd.CH--CH.dbd.CH, CH.dbd.CH--CH.dbd.CH or CH.sub.2 --CH.sub.2 --CH.sub.2 --CH.sub.2, ##STR3## and Q represents N or CH; X.sup.1 --X.sup.2 --X.sup.3 represents CH.dbd.CH--CH.dbd.CH, S--CH.dbd.CH or CH.dbd.CH--S; Y represents CH.sub.2 CH.sub.2 ; and Z.sup.1 --Z.sup.2 represents N--(CH.sub.2).sub.n -- wherein n is an integer of 1 to 3 or a pharmaceutically acceptable salt thereof.

  一种由以下式（I）表示的三环化合物：其中R.sup.1代表氢、卤素或较低的烷基；A代表氰基、羧基、四唑基、氰基取代的苯基、羧基取代的苯基或四唑基取代的苯基；V代表--（CH.sub.2).sub.m--其中m是0至2的整数；W代表##STR2##而Q.sup.1--Q.sup.2--Q.sup.3--Q.sup.4代表N.dbd.CH--CH.dbd.CH、CH.dbd.CH--CH.dbd.CH或CH.sub.2--CH.sub.2--CH.sub.2--CH.sub.2，##STR3##而Q代表N或CH；X.sup.1--X.sup.2--X.sup.3代表CH.dbd.CH--CH.dbd.CH、S--CH.dbd.CH或CH.dbd.CH--S；Y代表CH.sub.2CH.sub.2；Z.sup.1--Z.sup.2代表N--（CH.sub.2).sub.n--其中n是1至3的整数或其药用盐。
• Fused Tricyclic Compounds as Inhibitors of Tumor Necrosis Factor-Alpha
  申请人：Lal Bansi

  公开号：US20070299050A1

  公开（公告）日：2007-12-27

  Compounds of formula 1: are disclosed, wherein V is CH 2 ; W is S(O) m ; m is the integer 0, 1 or 2; U is O, C(O), CR 13 R 14 or NR 15 ; where R 13 is H, alkyl; R 14 is H, OH, OR 13 or OCOR 13 ; R 15 is H, alkyl, cycloalkyl, alkenyl, C(O)R 13 , C(O)OR 13 or alkylaminocarbonyl; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein. These compounds are inhibitors of tumor necrosis factor-alpha (TNF-α) and are useful as medicaments for the treatment and prevention of disorders caused by increased TNF-α activity, in particular inflammations.

  本文披露了式子1的化合物，其中V为CH2；W为S(O)m；m为0、1或2的整数；U为O、C(O)、CR13R14或NR15；其中R13为H、烷基；R14为H、OH、OR13或OCOR13；R15为H、烷基、环烷基、烯基、C(O)R13、C(O)OR13或烷基氨基甲酰基；R1、R2、R3、R4、R5、R6、R7和R8的定义如本文所述。这些化合物是肿瘤坏死因子-alpha（TNF-α）的抑制剂，并可用作药物治疗和预防由增加的TNF-α活性引起的疾病，特别是炎症。
• 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。
• FUSED TRICYCLIC COMPOUNDS AS INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA
  申请人：Lal Bansi

  公开号：US20100305094A1

  公开（公告）日：2010-12-02

  Compounds of formula 1: are disclosed, wherein V is CH 2 ; W is S(O) m ; m is the integer 0, 1 or 2; U is O, C(O), CR 13 R 14 or NR 15 ; where R 13 is H, alkyl; R 14 is H, OH, OR 13 or OCOR 13 ; R 15 is H, alkyl, cycloalkyl, alkenyl, C(O)R 13 , C(O)OR 13 or alkylaminocarbonyl; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are as defined herein. These compounds are inhibitors of tumor necrosis factor-alpha (TNF-α) and are useful as medicaments for the treatment and prevention of disorders caused by increased TNF-α activity, in particular inflammations.

  本文揭示了式1的化合物，其中V为CH2；W为S(O)m；m为整数0、1或2；U为O、C(O)、CR13R14或NR15；其中R13为H、烷基；R14为H、OH、OR13或OCOR13；R15为H、烷基、环烷基、烯丙基、C(O)R13、C(O)OR13或烷基氨基甲酰基；R1、R2、R3、R4、R5、R6、R7和R8的定义如本文所述。这些化合物是肿瘤坏死因子-α（TNF-α）的抑制剂，并且可用作治疗和预防由于TNF-α活性增加而引起的疾病，特别是炎症的药物。