(3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-(1-piperidin-2-ylethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | 1393727-92-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-(1-piperidin-2-ylethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 1393727-92-8
• 化学式: C₂₆H₄₅NO
• 分子量: 387.649
• InChiKey: FRCBUFOMORZPHB-ISFRPTDVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  在 platinum(IV) oxide 氢气 、 sodium hydride 、 2-[N,正双(三氟甲烷烷磺酰)氨基]-5-氯吡啶 作用下， 生成 (3S,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-(1-piperidin-2-ylethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
  参考文献：
  名称：

  [EN] STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AGAINST ELECTRON TRANSPORT-DEFICIENT MICROBES AND AS POTENTIATORS FOR ANTIMICROBIAL AGENTS AGAINST PATHOGENIC BACTERIA
  [FR] ALCALOÏDES STÉROÏDIENS ET LEURS UTILISATIONS EN TANT QU'AGENTS ANTIMICROBIENS CONTRE LES MICRO-ORGANISMES À DÉFAUT DE TRANSPORT D'ÉLECTRONS ET EN TANT QU'EXHAUSTEURS D'AGENTS MICROBIENS CONTRE DES BACTÉRIES PATHOGÈNES

  摘要：

  本发明包括以番茄碱骨架为基础的新化合物，以及包含这些化合物的组合物，这些化合物单独或与已知化合物结合，对细胞外或细胞内电子传递缺陷微生物表现出抗微生物活性，并/或增加氨基糖苷类抗生素对其靶标的抗微生物活性，可用作抗菌剂，用于治疗或预防单微生物或多微生物细菌感染，或用于减少动物或人类体内抗生素耐药性的发展，或用作防腐剂、杀菌剂或消毒剂。

  公开号：

  WO2012109752A1

文献信息

• ATP synthase inhibitors and steroid alkaloids and uses thereof as antimicrobial agents and as potentiators for aminoglycosides against pathogenic bacteria
  申请人：SOCPRA SCIENCES ET GÉNIE S.E.C.

  公开号：US10137137B2

  公开（公告）日：2018-11-27

  The present invention provides bacterial ATP synthase inhibitors such as a compound of formula (I): (Formula (I)) (A) in combination with an aminoglycoside antibiotic for preventing or treating a bacterial infection in a subject; or (B) (a) for preventing or treating an infection caused by an electron transport-deficient bacteria in a subject; or (b) for the disinfection, sterilization and/or antisepsis of an object contaminated with an electron transport-deficient bacteria. There are provided compositions and kits using such compounds and inhibitors.

  本发明提供细菌 ATP 合酶抑制剂，如式(I)化合物：(式(I))(A)与氨基糖苷类抗生素联用，用于预防或治疗受试者的细菌感染；或(B)(a)用于预防或治疗受试者由电子传递缺陷细菌引起的感染；或(b)用于对被电子传递缺陷细菌污染的物体进行消毒、灭菌和/或防腐。还提供了使用此类化合物和抑制剂的组合物和试剂盒。
• Steroid alkaloids and compositions and kits thereof
  申请人：SOCPRA SCIENCES ET GÉNIE S.E.C.

  公开号：US10716797B2

  公开（公告）日：2020-07-21

  The present invention provides bacterial ATP synthase inhibitors such as a compound of formula (I): There are provided compositions and kits using such compounds and inhibitors.

  本发明提供细菌 ATP 合酶抑制剂，如式 (I) 化合物： 还提供了使用此类化合物和抑制剂的组合物和试剂盒。
• ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA
  申请人：SOCPRA SCIENCES ET GÉNIE S.E.C.

  公开号：US20160317556A1

  公开（公告）日：2016-11-03

  The present invention provides bacterial ATP synthase inhibitors such as a compound of formula (I): (Formula (I)) (A) in combination with an aminoglycoside antibiotic for preventing or treating a bacterial infection in a subject; or (B) (a) for preventing or treating an infection caused by an electron transport-deficient bacteria in a subject; or (b) for the disinfection, sterilization and/or antisepsis of an object contaminated with an electron transport-deficient bacteria. There are provided compositions and kits using such compounds and inhibitors.
• STEROID ALKALOIDS AND COMPOSITIONS AND KITS THEREOF
  申请人：SOCPRA SCIENCES ET GÉNIE S.E.C.

  公开号：US20190008875A1

  公开（公告）日：2019-01-10

  The present invention provides bacterial ATP synthase inhibitors such as a compound of formula (I): There are provided compositions and kits using such compounds and inhibitors.