4-chloro-6-methyl-10,10-dioxo-2-piperazin-1-yl-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester mesylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-chloro-6-methyl-10,10-dioxo-2-piperazin-1-yl-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester mesylate
• 英文别名: 4-Chloro-6-methyl-10,10-dioxo-2-piperazin-1-yl-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester mesylate；methanesulfonic acid;methyl 10-chloro-1-methyl-5,5-dioxo-8-piperazin-1-yl-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate
• 化学式: CH₄O₃S*C₂₀H₂₁ClN₂O₅S
• 分子量: 533.023
• InChiKey: BPTUYOLHYVFREK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  156
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-chloro-6-methyl-10,10-dioxo-2-piperazin-1-yl-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester 、 甲烷磺酸 以 甲醇 为溶剂， 反应 0.25h， 以71%的产率得到4-chloro-6-methyl-10,10-dioxo-2-piperazin-1-yl-10,11-dihydro-5-oxa-10λ6-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester mesylate
  参考文献：
  名称：

  WO2006/51477

  摘要：

  公开号：

文献信息

• 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。
• Fused tricyclic compounds as inhibitors of tumor necrosis factor-α
  申请人：Piramal Life Sciences Limited

  公开号：US07964631B2

  公开（公告）日：2011-06-21

  Compounds of formula 1: are disclosed, wherein V is CH2; W is S(O)m; m is the integer 0, 1 or 2; U is O, C(O), CR13R14 or NR15; where R13 is H, alkyl; R14 is H, OH, OR13 or OCOR13; R15 is H, alkyl, cycloalkyl, alkenyl, C(O)R13, C(O)OR13 or alkylaminocarbonyl; R1, R2, R3, R4, R5, R6, R7 and R8 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.

  公式1的化合物被披露，其中V是CH2; W是S（O）m; m是整数0、1或2; U是O、C（O）、CR13R14或NR15;其中R13是H、烷基; R14是H、OH、OR13或OCOR13; R15是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如本文所定义。这些化合物是肿瘤坏死因子-alpha（TNF-α）的抑制剂，并且可用作治疗和预防由增加的TNF-α活性引起的疾病的药物，特别是炎症。
• Fused tricyclic compounds as inhibitors of tumor necrosis factor-alpha
  申请人：Piramal Life Sciences Limited

  公开号：US08163730B2

  公开（公告）日：2012-04-24

  Compounds of formula 1: are disclosed, wherein V is CH2; W is S(O)m; m is the integer 0, 1 or 2; U is O, C(O), CR13R14 or NR15; where R13 is H, alkyl; R14 is H, OH, OR13 or OCOR13; R15 is H, alkyl, cycloalkyl, alkenyl, C(O)R13, C(O)OR13 or alkylaminocarbonyl; R1, R2, R3, R4, R5, R6, R7 and R8 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.

  公式1的化合物被披露，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。
• 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。
• WO2006/51477
  申请人：——

  公开号：——

  公开（公告）日：——