4-(1H-benzimidazol-2-yl)[1,4]-diazepane | 692724-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-(1H-benzimidazol-2-yl)[1,4]-diazepane
• 英文别名: 2-[1,4]diazepan-1-yl-1H-benzoimidazole；2-(1,4-diazepan-1-yl)-1H-benzimidazole
• CAS: 692724-14-4
• 化学式: C₁₂H₁₆N₄
• mdl: MFCD09701682
• 分子量: 216.286
• InChiKey: SSPVIXHPLKDPNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  44
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  硫代吗啉-4-甲酰氯-1,1-二氧化物 、 4-(1H-benzimidazol-2-yl)[1,4]-diazepane 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 [4-(1H-benzoimidazol-2-yl)-[1,4]diazepan-1-yl]-(1,1-dioxo-1λ6-thiomorpholin-4-yl)-methanone
  参考文献：
  名称：

  [EN] DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR
  [FR] COMPOSÉS DE DIAZÉPANE QUI MODULENT LE RÉCEPTEUR CB2

  摘要：

  公开了公式(I)的化合物。根据发明的化合物能够结合并成为CB2受体的激动剂、拮抗剂或反向激动剂，并且用于治疗炎症。其中作为激动剂的化合物还可额外用于治疗疼痛。

  公开号：

  WO2009055357A1
• 作为产物：
  描述：

  tert-butyl 4-(1H-benzo[d]imidazol-2-yl)-1,4-diazepane-1-carboxylate 在 盐酸 作用下， 以 dioxanes 为溶剂， 生成 4-(1H-benzimidazol-2-yl)[1,4]-diazepane
  参考文献：
  名称：

  [EN] DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR
  [FR] COMPOSÉS DE DIAZÉPANE QUI MODULENT LE RÉCEPTEUR CB2

  摘要：

  公开了公式(I)的化合物。根据发明的化合物能够结合并成为CB2受体的激动剂、拮抗剂或反向激动剂，并且用于治疗炎症。其中作为激动剂的化合物还可额外用于治疗疼痛。

  公开号：

  WO2009055357A1

文献信息

• [EN] ADAMANTYL PYRROLIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] UTILISATION DE DERIVES D'ADAMANTYLE PYRROLIDIN-2-ONE COMME INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005108361A1

  公开（公告）日：2005-11-17

  The N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 1 or 2; M represents a direct bond or a C1-3alkyl linker optionally substituted with one or two substituents selected from C1-4alkyl, C1-3alkyloxy-C1-4alkyl-, hydroxy-C1-4alkyl-, hydroxy, C1-3alkyloxy- or phenyl-C1-4alkyl-; R1 and R2 each independently represent hydrogen, halo, cyano, hydroxy, Cl-4alkyl optionally substituted with halo, C1-4alkyloxy- optionally substituted with one or where possible two or three substituents selected from hydroxy, Ar1 and halo ; R3 represents hydrogen, halo, C1-4alkyl, C1-4alkyloxy-, cyano or hydroxy; R4 represents hydrogen, halo, Cl-4alkyl, hydroxy, cyano or C1-4alkyloxy- optionally substituted with one or where possible two or three substituents selected from hydroxy and halo; R5 represents hydrogen, C1-4alkyl or Ar2-C1-4alkyl-; R6 represents hydrogen, hydroxy, halo, C1-4alkyl or C1-4alkyoxy-; R7 represents hydrogen or R7 and R5 taken together with the carbon atom to which they are attached from a -C2-alkyl- linker; Ar1 and Ar2 each independently represent phenyl or naphtyl wherein said phenyl and naphtyl are optionally substituted with C1-4alkyl, C1-4alkyloxy-, or phenyl-C1-4alkyl.

  N-氧化物形式，药学上可接受的加合盐及其立体化异构体形式，其中n为1或2；M代表直接键或C1-3烷基连接物，可选地取代为从C1-4烷基、C1-3烷氧基-C1-4烷基、羟基-C1-4烷基、羟基、C1-3烷氧基或苯基-C1-4烷基中选择的一个或两个取代基；R1和R2各自独立地代表氢、卤素、氰基、羟基、Cl-4烷基，可选地取代为卤素、C1-4烷氧基，可选地取代为从羟基、Ar1和卤素中选择的一个或多个取代基；R3代表氢、卤素、C1-4烷基、C1-4烷氧基、氰基或羟基；R4代表氢、卤素、Cl-4烷基、羟基、氰基或C1-4烷氧基，可选地取代为从羟基和卤素中选择的一个或多个取代基；R5代表氢、C1-4烷基或Ar2-C1-4烷基；R6代表氢、羟基、卤素、C1-4烷基或C1-4烷氧基；R7代表氢或R7和R5一起与它们连接的碳原子形成-C2-烷基连接物；Ar1和Ar2各自独立地代表苯或萘基，其中所述苯和萘基可选地取代为C1-4烷基、C1-4烷氧基或苯基-C1-4烷基。
• Substituted N-methyl-N-(4-(4-(1H-benzimidazol-2-yl)
  申请人：Hoechst Marion Roussel, Inc.

  公开号：US05932571A1

  公开（公告）日：1999-08-03

  The present invention relates to novel N-methyl-N-(4-(4-(1H-benzimidazol-2-yl)\x9b1,4!diazepan-1-yl)-2-(aryl)butyl)b enzamide derivatives of the formula: ##STR1## stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonists. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及新型N-甲基-N-(4-(4-(1H-苯并咪唑-2-基)\x9b1,4!二氮杂环己烷-1-基)-2-(芳基)丁基)苯酰胺衍生物的公式：##STR1## 其立体异构体，以及其药学上可接受的盐，可用作组胺受体拮抗剂和速激肽受体拮抗剂。这类拮抗剂在过敏性鼻炎的治疗中很有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• Novel substituted 4-(1H-benzimidazol-2-yl) [1,4]diazepanes useful for the treatment of allergic diseases
  申请人：——

  公开号：US20010034343A1

  公开（公告）日：2001-10-25

  The present invention relates to novel 4-(1H-benzimidazol-2-yl)[1,4]diazepane derivatives of formula 1 and stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonist. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及一种新颖的4-(1H-苯并咪唑-2-基)[1,4]二氮杂环庚烷衍生物及其立体异构体，以及其药学上可接受的盐，其作为组胺受体拮抗剂和速激肽受体拮抗剂具有用途。这些拮抗剂在过敏性鼻炎的治疗中有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• [EN] PYRROLIDIN-2-ONE AND PIPERIDIN-2-ONE DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] UTILISATION DE DERIVES DE PYRROLIDIN-2-ONE ET DE PIPERIDIN-2-ONE COMME INHIBITEURS DE LA 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2005108360A1

  公开（公告）日：2005-11-17

  Formula (I), the N-oxide forms, the pharmaceutically acceptable addition salts and the stereochemically isomeric forms thereof, wherein n is 1 or 2; L represents a C1-3alkyl linker optionally substituted with one or two substituents selected from C1-4alkyl, C1-3alkyloxy-C1-4alkyl-, hydroxy-C1-4alkyl, hydroxy, C1-3alkyloxy- or phenyl-C1-4alkyl; M represents a direct bond or a C1-3alkyl linker optionally substituted with one or two substituents selected from hydroxy, C1-4alkyl or C1-4alkyloxy; R1 and R2 each independently represent hydrogen, halo, cyano, hydroxy, C1-4alkyl optionally substituted with halo, C1-4alkyloxy- optionally substituted with one or where possible two or three substituents selected from hydroxy, Ar1 and halo; or R1 and R2 taken together with the phenyl ring to which they are attached form naphtyl or 1,3-benzodioxolyl, wherein said naphtyl or 1,3-benzodioxolyl are optionally substituted with halo; R3 represents hydrogen, halo, C1-4alkyl, C1-4alkyloxy-, cyano or hydroxy; R4 represents hydrogen, halo, C1-4alkyl, C1-4alkyloxy-, cyano or hydroxy; R5 represents hydrogen, C1-4alkyl or Ar2-C1-4alky-; R6 represents hydrogen, halo, C1-4alkyl Or C1-4alkyoxy-; Ar1 and Ar2 each independently represent phenyl or naphtyl wherein said phenyl and naphtyl are optionally substituted with C1-4alkyl, C1-4alkyloxy-, or phenyl-C1-4alkyl; for use as a medicine.

  公式（I），N-氧化物形式，药学上可接受的加合盐及其立体化异构形式，其中n为1或2；L代表C1-3烷基连接物，可选地取代为从C1-4烷基，C1-3烷氧基-C1-4烷基，羟基-C1-4烷基，羟基，C1-3烷氧基或苯基-C1-4烷基中选择的一个或两个取代基；M代表直接键或C1-3烷基连接物，可选地取代为从羟基，C1-4烷基或C1-4烷氧基中选择的一个或两个取代基；R1和R2各自独立地代表氢，卤素，氰基，羟基，C1-4烷基（可选地取代为卤素），C1-4烷氧基（可选地取代为一个或可能两个或三个取代基，选自羟基，Ar1和卤素）；或者R1和R2连同它们连接的苯环形成萘基或1,3-苯并二氧杂环己，其中所述的萘基或1,3-苯并二氧杂环己可选地取代为卤素；R3代表氢，卤素，C1-4烷基，C1-4烷氧基，氰基或羟基；R4代表氢，卤素，C1-4烷基，C1-4烷氧基，氰基或羟基；R5代表氢，C1-4烷基或Ar2-C1-4烷基；R6代表氢，卤素，C1-4烷基或C1-4烷氧基；Ar1和Ar2各自独立地代表苯基或萘基，其中所述的苯基和萘基可选地取代为C1-4烷基，C1-4烷氧基或苯基-C1-4烷基；用作药物。
• [EN] TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS<br/>[FR] DERIVES DE LACTAME TRICYCLIQUE UTILISES EN TANT QU'INHIBITEURS DE 11-BETA-HYDROXYSTEROIDE DESHYDROGENASE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006024628A1

  公开（公告）日：2006-03-09

  Compounds of formulae (I) and (I bis) are useful as 11BETA-HSD1 inhibitors for treatment of obesity.

  式(I)和(I bis)的化合物可用作11BETA-HSD1抑制剂，用于治疗肥胖。