别孕甾烷-3,20-二醇 | 4479-11-2

• 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
• 中文名称: 别孕甾烷-3,20-二醇
• 英文名称: pregnane-3,20-diol
• 英文别名: Allopregnane-3,20-diol；(8R,9S,10S,13S,14S,17S)-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 4479-11-2
• 化学式: C₂₁H₃₆O₂
• 分子量: 320.516
• InChiKey: YWYQTGBBEZQBGO-QARKZGPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  黄体酮 在 Hortaea werneckii B-763 at late logarithmic and stationary growth phase 作用下， 以 YNB growth medium 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 pregnan-3-ol-20-one 、 别孕甾烷-3,20-二醇 、 20 beta-二氢黄体酮 、 睾酮 、 氢化黄体酮 、 雄烯二酮 、 醋酸睾酮
  参考文献：
  名称：

  Aspects of the progesterone response in Hortaea werneckii: Steroid detoxification, protein induction and remodelling of the cell wall

  摘要：

  Progesterone in sublethal concentrations temporarily inhibits growth of Hortaea werneckii. This study investigates some of the compensatory mechanisms which are activated in the presence of progesterone and are most probably contributing to escape from growth inhibition. These mechanisms lead on the one hand to progesterone biotransformation/detoxification but, on the other, are suggested to increase the resistance of H. werneckii to the steroid. Biotransformation can detoxify progesterone efficiently in the early logarithmic phase, with mostly inducible steroid transforming enzymes, while progesterone biotransformation/detoxification in the late logarithmic and stationary phases of growth is not very efficient. The relative contribution of constitutive steroid transforming enzymes to progesterone biotransformation is increased in these latter phases of growth. In the presence of progesterone, activation of the cell wall integrity pathway is suggested by the overexpression of Pck2 which was detected in the stationary as well as the logarithmic phase of growth of the yeast. Progesterone treated H. werneckii cells were found to be more resistant to cell lysis than mock treated cells, indicating for the first time changes in the yeast cell wall as a result of treatment with progesterone. (C) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2008.08.004

文献信息

• [EN] STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AGAINST ELECTRON TRANSPORT-DEFICIENT MICROBES AND AS POTENTIATORS FOR ANTIMICROBIAL AGENTS AGAINST PATHOGENIC BACTERIA<br/>[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
  申请人：SOCPRA SCIENCES ET GENIE SEC

  公开号：WO2012109752A1

  公开（公告）日：2012-08-23

  The present invention includes novel compounds based on the tomatidine skeleton as well as composition comprising these compounds alone and in combination with known compounds, which exhibit antimicrobial activity against extracellular or intracellular electron transport-deficient microbes and/or increase the antimicrobial activity of aminoglycoside antibiotics against their targets, and which are useful as antibacterial agents for treatment or prophylaxis of monomicrobiotic or polymicrobic bacterial infections or for the reduction of antibiotic resistance development in animals or in humans, or for use as antiseptics or agents for sterilization or disinfection.

  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。
• [EN] ATP SYNTHASE INHIBITORS AND STEROID ALKALOIDS AND USES THEREOF AS ANTIMICROBIAL AGENTS AND AS POTENTIATORS FOR AMINOGLYCOSIDES AGAINST PATHOGENIC BACTERIA<br/>[FR] INHIBITEURS D'ATP SYNTHASE ET ALCALOÏDES STÉROÏDIENS ET LEURS UTILISATIONS EN TANT QU'AGENTS ANTIMICROBIENS ET POTENTIATEURS D'AMINOGLYCOSIDES CONTRE DES BACTÉRIES PATHOGÈNES
  申请人：SOCPRA SCIENCES ET GÉNIE S E C

  公开号：WO2015095971A1

  公开（公告）日：2015-07-02

  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，例如式(I)的化合物：(A)与氨基糖苷类抗生素结合，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体内由电子传递缺陷细菌引起的感染；或(b) 用于对受电子传递缺陷细菌污染的物体进行消毒、灭菌和/或防腐。提供了使用这些化合物和抑制剂的组合物和工具包。
• [EN] GABA RECEPTOR MODULATORS
  申请人：COCENSYS, INC.

  公开号：WO1993003732A1

  公开（公告）日：1993-03-04

  (EN) Method, compositions, and compounds for modulating brain excitability to alleviate stress, anxiety, insomnia and seizure activity using certain steroid derivatives that act at a newly identified site on the gamma-aminobutyric acid receptor-chloride ionophore (GR) complex.(FR) L'invention se rapporte à un procédé, à des compositions et à des composés destinés à moduler l'excitabilité du cerveau, de façon à obtenir une amélioration du stress, de l'angoisse, de l'insomnie et des crises à l'aide de certains dérivés stéroïdes agissant sur un site nouvellement identifié sur le complexe (GR) récepteur d'acide gamma-aminobutyrique/ionophore au chlorure.

  (EN) 通过使用某些类固醇衍生物在新发现的γ-氨基丁酸受体-氯离子复合物上作用的位置，调节大脑兴奋性以缓解压力、焦虑、失眠和癫痫活动的方法、组合物和化合物。(FR) L'invention se rapporte à un procédé, à des compositions et à des composés destinés à moduler l'excitabilité du cerveau, de façon à obtenir une amélioration du stress, de l'angoisse, de l'insomnie et des crises à l'aide de certains dérivés stéroïdes agissant sur un site nouvellement identifié sur le complexe (GR) récepteur d'acide gamma-aminobutyrique/ionophore au chlorure.
• [EN] ANDROSTANE AND PREGNANE SERIES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR<br/>[FR] SERIES DE L'ANDROSTANE ET DE LA PREGNANE PRODUISANT UNE MODULATION ALLOSTERIQUE DU RECEPTEUR DU GABA
  申请人：COCENSYS, INC.

  公开号：WO1996016076A1

  公开（公告）日：1996-05-30

  (EN) Methods, compositions, and compounds for modulating the GABAA receptor-chloride ionophore complex to alleviate stress, anxiety, seizures, mood disorders, PMS and PND and to induce anesthesia.(FR) Procédés, compositions et composés servant à moduler le complexe ionophore de chlorure et récepteur du GABAA, permettant ainsi d'atténuer le stress, l'anxiété, les crise d'épilepsie, les troubles de l'humeur, la dépression post natale et le syndrome prémenstruel, et de provoquer l'anesthésie.

  (中文) 用于调节GABAA受体-氯离子复合物以缓解压力、焦虑、癫痫、情绪障碍、PMS和PND并诱导麻醉的方法、组合物和化合物。
• PROGESTERONE RECEPTOR ANTAGONISTS AND USES THEREOF
  申请人：Rafestin-Oblin Marie-Edith

  公开号：US20130203718A1

  公开（公告）日：2013-08-08

  The present invention relates to a compound of formula (I): for its use as progesterone receptor antagonist, in particular for its use for the prevention and/or the treatment of cancer or uterine pathologies.

  本发明涉及一种化合物，其化学式为（I）：用作孕激素受体拮抗剂，特别是用于预防和/或治疗癌症或子宫病理学的用途。