[1,1'-Biphenyl]-4-yl-(5,6,7,8-tetrahydro-thieno[3,2-b]azepin-4-yl)-methanone | 180992-76-1

• 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: [1,1'-Biphenyl]-4-yl-(5,6,7,8-tetrahydro-thieno[3,2-b]azepin-4-yl)-methanone
• 英文别名: 4-([1,1'-Biphenyl]-4-ylcarbonyl)-5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine；1,1'-Biphenyl-4-yl-(5,6,7,8-tetrahydro-thieno[3,2-b]azepin-4-yl)-methanone；(4-phenylphenyl)-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
• CAS: 180992-76-1
• 化学式: C₂₁H₁₉NOS
• 分子量: 333.454
• InChiKey: WNJZYKHGAXOICT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  48.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  联苯-4-甲酰氯 、 5,6,7,8-四氢-4H-噻吩并[3,2-b]氮杂 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 [1,1'-Biphenyl]-4-yl-(5,6,7,8-tetrahydro-thieno[3,2-b]azepin-4-yl)-methanone
  参考文献：
  名称：

  Tricyclic thieno-azepine vasopressin antagonists

  摘要：

  这项发明涉及新的双环非肽抗利尿素拮抗剂，可用于治疗需要降低加压素水平的情况，例如充血性心力衰竭、伴有肾脏过度水分重吸收的疾病情况以及伴有增加血管阻力和冠状动脉收缩的情况。

  公开号：

  US05654297A1

文献信息

• Biphenyl vasopressin agonists
  申请人：Wyeth

  公开号：US20030018024A1

  公开（公告）日：2003-01-23

  A compound of the formulae (I) or (II): 1 wherein: Y is a moiety selected from NR or —(CH 2 ) n ; wherein R is hydrogen or (C 1 -C 6 ) lower alkyl, and n is 1; 2 represents: (1) a phenyl ring optionally substituted with one or two substituents selected, independently, from the group comprising hydrogen, (C 1 -C 6 ) lower alkyl, halogen, cyano, CF 3 , hydroxy, (C 1 -C 6 ) lower alkoxy, (C 1 -C 6 ) lower alkoxy carbonyl, carboxy, —CONH 2 , —CONH[(C 1 -C 6 ) lower alkyl], —CON[(C 1 -C 6 ) lower alkyl] 2 ; or (2) a 6-membered aromatic (unsaturated) heterocyclic ring having one nitrogen atom, optionally substituted by (C 1 -C 6 ) lower alkyl, halogen or (C 1 -C 6 ) lower alkoxy; 3 represents: (1) a phenyl ring optionally substituted with one or two substituents selected, independently, from the group comprising hydrogen, (C 1 -C 6 ) lower alkyl, halogen, cyano, CF 3 , hydroxy, (C 1 -C 6 ) lower alkoxy, or (C 1 -C 6 ) lower alkoxy carbonyl, carboxy, —CONH 2 , —CONH[(C 1 -C 6 ) lower alkyl], —CON[(C 1 -C 6 ) lower alkyl] 2 ; or (2) a 5-membered aromatic (unsaturated) heterocyclic ring having one nitrogen atom, optionally substituted by (C 1 -C 6 ) lower alkyl, (C 1 -C 6 ) lower alkoxy, or halogen; or (3) a 6-membered aromatic (unsaturated) heterocyclic ring having one nitrogen atom, optionally substituted by (C 1 -C 6 ) lower alkyl, halogen, or (C 1 -C 6 ) lower alkoxy; 4 represents a 5-membered aromatic (unsaturated) heterocyclic ring having one sulfur atom, optionally substituted by (C 1 -C 6 ) lower alkyl, halogen, or (C 1 -C 6 ) lower alkoxy; R 1 is a moiety of the formula 5 and R 2 , R 3 , R 7 , R 8 and R 9 are, independently, selected from a group consisting of hydrogen, (C 1 -C 3 ) lower alkyl, OCH 3 , halogen, CF 3 , —SCH 3 , OCF 3 , SCF 3 , or CN; or a pharmaceutically acceptable salt, or pro-drug form thereof.

  化合物的分子式（I）或（II）：其中：Y是从NR或—（CH2）n选择的基团；其中R是氢或（C1-C6）低碳烷基，n为1；2代表：（1）一个苯环，可选地取代一个或两个取代基，独立地选自包括氢，（C1-C6）低碳烷基，卤素，氰基，CF3，羟基，（C1-C6）低烷氧基，（C1-C6）低烷氧羰基，羧基，—CONH2，—CONH（C1-C6）低碳烷基，—CON（C1-C6）低碳烷基2的基团；或（2）含有一个氮原子的6成员芳香（不饱和）杂环环，可选地取代为（C1-C6）低碳烷基，卤素或（C1-C6）低烷氧基；3代表：（1）一个苯环，可选地取代一个或两个取代基，独立地选自包括氢，（C1-C6）低碳烷基，卤素，氰基，CF3，羟基，（C1-C6）低烷氧基，或（C1-C6）低烷氧羰基，羧基，—CONH2，—CONH（C1-C6）低碳烷基，—CON（C1-C6）低碳烷基2的基团；或（2）含有一个氮原子的5成员芳香（不饱和）杂环环，可选地取代为（C1-C6）低碳烷基，（C1-C6）低烷氧基，或卤素；或（3）含有一个氮原子的6成员芳香（不饱和）杂环环，可选地取代为（C1-C6）低碳烷基，卤素，或（C1-C6）低烷氧基；4代表含有一个硫原子的5成员芳香（不饱和）杂环环，可选地取代为（C1-C6）低碳烷基，卤素，或（C1-C6）低烷氧基；R1是公式5的基团，R2、R3、R7、R8和R9独立地选自氢，（C1-C3）低碳烷基，OCH3，卤素，CF3，—SCH3，OCF3，SCF3，或CN的基团；或其药学上可接受的盐或前药形式。
• Fused heterocyclic azepines as vasopressin antagonists
  申请人：American Cyanamid Company

  公开号：US05696112A1

  公开（公告）日：1997-12-09

  This invention relates to bicyclic non-peptide vasopressin antagonists useful in treating conditions where decreased vasopressin levels are desired, in conditions with excess renal water reabsorption and in conditions with increased vascular resistance and coronary vasoconstriction, the compounds of this invention having the core structure of ##STR1## wherein: E--Y is selected from the moieties --CH.dbd.CH--, --CH.sub.2 CH.sub.2 --, and ##STR2## the moiety ##STR3## includes an optionally substituted, fused 6-membered heterocyclic aromatic ring containing two nitrogen atoms, a fused 5-membered heterocyclic aromatic ring containing either a) one heteroatom selected from O, S or N; b) two N atoms; or one N atom and one O or S atom; and R.sup.1, R.sup.2, R.sup.3 and R.sub.b are as defined herein.

  本发明涉及双环非肽类加压素拮抗剂，用于治疗需要降低加压素水平的情况，以及肾脏过度水分重吸收和血管阻力增加和冠状血管收缩的情况。本发明化合物具有以下核心结构：##STR1## 其中：E-Y是选择自基团--CH.dbd.CH--，--CH.sub.2 CH.sub.2--和##STR2## 基团##STR3##包括一个可选取代的融合6元杂环芳香环，其中包含两个氮原子，一个融合的5元杂环芳香环，包含a）一个从O、S或N中选择的杂原子；b）两个N原子；或一个N原子和一个O或S原子；以及R1、R2、R3和Rb的定义如本文所述。
• Biphenyl Vasopressin Agonists
  申请人：FAILLI Amedeo A.

  公开号：US20090227565A1

  公开（公告）日：2009-09-10

  A compound of the formulae (I) or (II): wherein: Y is a moiety selected from NR or —(CH 2 ) n ; wherein R is hydrogen or (C 1 -C 6 ) lower alkyl, and n is 1; represents: (1) a phenyl ring optionally substituted with one or two substituents selected, independently, from the group comprising hydrogen, (C 1 -C 6 ) lower alkyl, halogen, cyano, CF 3 , hydroxy, (C 1 -C 6 ) lower alkoxy, (C 1 -C 6 ) lower alkoxy carbonyl, carboxy, —CONH 2 , —CONH[(C 1 -C 6 ) lower alkyl], —CON[(C 1 -C 6 ) lower alkyl] 2 ; or (2) a 6-membered aromatic (unsaturated) heterocyclic ring having one nitrogen atom, optionally substituted by (C 1 -C 6 ) lower alkyl, halogen or (C 1 -C 6 ) lower alkoxy; represents: (1) a phenyl ring optionally substituted with one or two substituents selected, independently, from the group comprising hydrogen, (C 1 -C 6 ) lower alkyl, halogen, cyano, CF 3 , hydroxy, (C 1 -C 6 ) lower alkoxy, or (C 1 -C 6 ) lower alkoxy carbonyl, carboxy, —CONH 2 , —CONH[(C 1 -C 6 ) lower alkyl], —CON[(C 1 -C 6 ) lower alkyl] 2 ; or (2) a 5-membered aromatic (unsaturated) heterocyclic ring having one nitrogen atom, optionally substituted by (C 1 -C 6 ) lower alkyl, (C 1 -C 6 ) lower alkoxy, or halogen; or (3) a 6-membered aromatic (unsaturated) heterocyclic ring having one nitrogen atom, optionally substituted by (C 1 -C 6 ) lower alkyl, halogen, or (C 1 -C 6 ) lower alkoxy; represents a 5-membered aromatic (unsaturated) heterocyclic ring having one sulfur atom, optionally substituted by (C 1 -C 6 ) lower alkyl, halogen, or (C 1 -C 6 ) lower alkoxy; R 1 is a moiety of the formula and R 2 , R 3 , R 7 , R 8 and R 9 are, independently, selected from a group consisting of hydrogen, (C 1 -C 3 ) lower alkyl, OCH 3 , halogen, CF 3 , —SCH 3 , OCF 3 , SCF 3 , or CN; or a pharmaceutically acceptable salt, or pro-drug form thereof.

  化合物的结构式为(I)或(II)，其中：Y是从NR或—(CH2)n选择的基团；其中R是氢或(C1-C6)低级烷基，n为1；表示：(1)苯环，可选地取代一个或两个取代基，独立地从羟基，(C1-C6)低级烷基，卤素，氰基，CF3，(C1-C6)低级烷氧基，(C1-C6)低级烷氧基羰基，羧基，—CONH2，—CONH[(C1-C6)低级烷基]，—CON[(C1-C6)低级烷基]2中选择；或(2)具有一个氮原子的6元芳香(不饱和)杂环，可选地取代(C1-C6)低级烷基，卤素或(C1-C6)低级烷氧基；表示：(1)苯环，可选地取代一个或两个取代基，独立地从羟基，(C1-C6)低级烷基，卤素，氰基，CF3，(C1-C6)低级烷氧基，或(C1-C6)低级烷氧基羰基，羧基，—CONH2，—CONH[(C1-C6)低级烷基]，—CON[(C1-C6)低级烷基]2中选择；或(2)具有一个氮原子的5元芳香(不饱和)杂环，可选地取代(C1-C6)低级烷基，(C1-C6)低级烷氧基或卤素；或(3)具有一个氮原子的6元芳香(不饱和)杂环，可选地取代(C1-C6)低级烷基，卤素或(C1-C6)低级烷氧基；表示具有一个硫原子的5元芳香(不饱和)杂环，可选地取代(C1-C6)低级烷基，卤素或(C1-C6)低级烷氧基；R1是公式的基团，R2、R3、R7、R8和R9独立地选择自氢，(C1-C3)低级烷基，OCH3，卤素，CF3，—SCH3，OCF3，SCF3或CN的群体；或其药学上可接受的盐或前药形式。
• BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS
  申请人：Wyeth Holdings Corporation

  公开号：EP0811008B1

  公开（公告）日：2003-10-01
• N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS
  申请人：Wyeth

  公开号：EP1381370B1

  公开（公告）日：2007-03-07