2-cyano-3-(4-mesylamino-7-azaindol-3-yl)acrylonitrile | 175075-92-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 2-cyano-3-(4-mesylamino-7-azaindol-3-yl)acrylonitrile
• 英文别名: N-[3-(2,2-dicyanoethenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]methanesulfonamide
• CAS: 175075-92-0
• 化学式: C₁₂H₉N₅O₂S
• 分子量: 287.302
• InChiKey: HUTHOJXMCRQMSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  131
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0287951A2

  公开（公告）日：1988-10-26

  Novel 4-oxoquinoline-3-carboxylic acid compounds of the formula: wherein R¹ is cyclopropyl which may have 1 to 3 substituents of alkyl and halogen; phenyl which may be substituted by 1 to 3 substituents of alkoxy, halogen and OH; alkyl which may be substituted by halogen, alkanoyloxy or OH; alkenyl; or thienyl, R² is 5- to 9-membered saturated or unsaturated heterocyclic ring which may be sustituted, R³ is H, alkyl or halogen, R⁴ is alkyl or halogen, R is H or alkyl, R¹ and R³ may be taken together to form wherein R³¹ is H or alkyl, and X is halogen, provided that R³ and R⁴ are not simultaneously halogen, and that when R³ is H, R⁴ is alkyl, and salts thereof, said compounds having excellent anti­microbial activity and hence being useful as an antimicro­bial agent, and a pharmaceutical composition containing said compound as an active ingredient.

  式中的新型 4-氧代喹啉-3-羧酸化合物： 其中 R¹ 是环丙基，可具有 1 至 3 个烷基和卤素取代基；苯基，可被 1 至 3 个烷氧基、卤素和 OH 取代；烷基，可被卤素、烷氧基或 OH 取代；烯基；或噻吩基，R² 是 5 至 9 元饱和或不饱和杂环，可被取代，R³ 是 H、烷基或卤素，R⁴ 是烷基或卤素，R 是 H 或烷基，R¹ 和 R³ 可结合在一起形成 其中 R³¹ 是 H 或烷基，X 是卤素，条件是 R³ 和 R⁴ 不同时是卤素，当 R³ 是 H 时，R⁴ 是烷基，以及它们的盐，所述化合物具有优异的抗菌活性，因此可用作抗菌剂，以及含有所述化合物作为活性成分的药物组合物。
• Novel antimicrobial quinolonyl lactam esters
  申请人：Norwich Eaton Pharmaceuticals, Inc.

  公开号：EP0366641A2

  公开（公告）日：1990-05-02

  Antimicrobial quinolonyl lactam esters comprising a lactam-containing moiety linked, by an ester group, to the 3-carboxy group of a quinolone moiety. These compounds are of the formula: wherein (1) R3, R4, and R5, together with bonds "a" and "b", form certain lactam-containing moieties similar to those known in the art to have antimicrobial activity; and (2) A, R6, R7, and R8 form any of a variety of quinolone or napthyridine structures similar to those known in the art to have antimicrobial activity.

  抗菌喹烯酮内酰胺酯，包含一个通过酯基与喹烯酮分子的 3-羧基相连的含内酰胺分子。这些化合物的结构式如下 其中 (1) R3、R4 和 R5 与键 "a "和 "b "一起形成某些含内酰胺的分子，类似于本领域已知的具有抗菌活性的分子；以及 (2) A、R6、R7 和 R8 形成各种喹诺酮或萘啶结构中的任何一种，类似于本领域已知的具有抗菌活性的结构。
• Novel antimicrobial quinolonyl lactams
  申请人：Norwich Eaton Pharmaceuticals, Inc.

  公开号：EP0366193A2

  公开（公告）日：1990-05-02

  Antimicrobial quinolonyl lactam compounds comprising a lactam-containing moiety linked, by a non-ester linking moiety, to the 3-carboxy group of a quinolone moiety. These compounds are of the formula: wherein (1) R3, R4, and R5, together with bonds "a" and "b", form any of a variety of lactam-containing moieties similar to those known in the art to have antimicrobial activity; (2) A, R6, R7, and R8 form any of a variety of quinolone or naphthyridine structures similar to those known in the art to have antimicrobial activity; and (3) Y, together with R5, form a variety of non-ester linking moieties between the lactam-containing moiety and the quinolone moiety.

  抗菌喹烯酮内酰胺化合物，其包含的内酰胺分子通过非酯连接分子与喹烯酮分子的 3-羧基相连。这些化合物的结构式如下 其中 (1) R3、R4 和 R5，与键 "a "和 "b "一起，构成与本领域已知的具有抗菌活性的含内酰胺分子类似的各种含内酰胺分子中的任何一种； (2) A、R6、R7 和 R8 形成各种喹诺酮或萘啶结构中的任何一种，类似于本领域已知的具有抗菌活性的结构；以及 (3) Y 与 R5 一起在含内酰胺的分子和喹诺酮分子之间形成各种非酯连接分子。
• Novel antimicrobial dithiocarbamoyl quinolones
  申请人：Norwich Eaton Pharmaceuticals, Inc.

  公开号：EP0366643A2

  公开（公告）日：1990-05-02

  Antimicrobial dithiocarbamoyl quinolone compounds of the general formula: wherein (1) A¹, A², A³, R¹, R³, R⁴, and R⁶ form any of a variety of quinolone and related heterocyclic structures similar to those known in the art to have antimicrobial activity; and (2) (1) R¹ is X, R³ is X, or both R¹ and R³ are X; and (2) X is -R¹⁵-N(R¹⁶)(R¹⁷) or -R¹⁵-R¹⁸-N(R¹⁹)(R¹⁷), where (a) (1) R¹⁵ is nil, alkyl, a carbocyclic ring, or a heterocyclic ring; and (2) R¹⁶ is hydrogen; alkyl; alkenyl; a carbocyclic ring; a heterocyclic ring; or (3) when X is R¹⁵-N(R¹⁶)(R¹⁷), R¹⁶ and R¹⁵ may together comprise a heterocyclic ring including the nitrogen atom to which R¹⁵ and R¹⁶ are bonded; (b) R¹⁷ is C(=S)-S-M, where M is a pharmaceutically-­acceptable salt or biohydrolyzable ester; and (c) (1) R¹⁸ is alkyl, a carbocyclic ring, or a heterocyclic ring; and (2) R¹⁹ is hydrogen; alkyl; alkenyl; a carbocyclic ring; a heterocyclic ring; or (3) R¹⁸ and R¹⁹ may together comprise a heterocyclic ring including the nitrogen atom to which R¹⁸ and R¹⁹ are bonded; and pharmaceutically-acceptable salts and biohydrolyzable esters thereof, and hydrates thereof.

  通式如下的二硫代氨基甲酰基喹诺酮类抗菌化合物 其中 (1) A¹、A²、A³、R¹、R³、R⁴ 和 R⁶ 构成各种喹诺酮和相关杂环结构中的任何一种，这些结构与本领域已知的具有抗菌活性的结构相似；以及 (2) (1) R¹ 是 X，R³ 是 X，或 R¹ 和 R³ 都是 X；以及 (2) X 是-R¹⁵-N(R¹⁶)(R¹⁷)或-R¹⁵-R¹⁸-N(R¹⁹)(R¹⁷)，其中 (a) (1) R¹⁵ 是零、烷基、碳环或杂环；且 (2) R¹⁶ 是氢；烷基；烯基；碳环；杂环；或 (3) 当 X 为 R¹⁵-N(R¹⁶)(R¹⁷) 时，R¹⁶ 和 R¹⁵ 可共同组成一个杂环，包括 R¹⁵ 和 R¹⁶ 所键合的氮原子； (b) R¹⁷ 是 C(=S)-S-M，其中 M 是药学上可接受的盐或可生物水解的酯；以及 (c) (1) R¹⁸ 是烷基、碳环或杂环；且 (2) R¹𠞙 是氢；烷基；烯基；碳环；杂环；或 (3) R¹⁸ 和 R¹𠞙 可共同组成一个杂环，包括与 R¹⁸ 和 R¹𠞙 键合的氮原子； 及其药学上可接受的盐和生物可水解酯，以及其水合物。
• Quinolinecarboxylic acid derivatives and antibacterial agent containing the same
  申请人：KANEBO LTD.

  公开号：EP0387877A1

  公开（公告）日：1990-09-19

  Novel quinolinecarboxylic acid derivatives of the formula: wherein Z is in which R1 and R2 are each hydrogen atom or a lower alkyl, R3 is hydrogen atom, hydroxy or a lower alkyl and R4 is hydrogen atom, hydroxy, amino, aminomethyl, a (lower alkyl)aminomethyl or a di(lower alkyl)-aminomethyl, and a pharmaceutically acceptable salt thereof. The compounds have excellent antibacterial activities and are useful as an antibacterial agent.

  式中的新型喹啉羧酸衍生物： 其中 Z 为 其中 R1 和 R2 分别为氢原子或低级烷基，R3 为氢原子、羟基或低级烷基，R4 为氢原子、羟基、氨基、氨甲基、（低级烷基）氨甲基或二（低级烷基）-氨甲基，及其药学上可接受的盐。这些化合物具有优异的抗菌活性，可用作抗菌剂。