(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate | 6885-40-1

• 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: (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate
• CAS: 6885-40-1
• 化学式: C₂₈H₃₈O₄S
• 分子量: 470.7
• InChiKey: MOQRKBVEMYSZBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate 以100的产率得到1-[(3S,8S,9S,10R,13R,14S,17S)-3-甲氧基-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-17-基]乙酮
  参考文献：
  名称：

  Use of 3-methoxy-pregnenolone for the preparation of a drug for treating depressive disorders and long-term neurological diseases

  摘要：

  本发明涉及使用孕酮衍生物治疗抑郁症和长期神经疾病的治疗方法。

  公开号：

  US08334278B2
• 作为产物：
  描述：

  1-(3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone 以98的产率得到(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate
  参考文献：
  名称：

  Use of 3-methoxy-pregnenolone for the preparation of a drug for treating depressive disorders and long-term neurological diseases

  摘要：

  本发明涉及使用孕酮衍生物治疗抑郁症和长期神经疾病的治疗方法。

  公开号：

  US08334278B2

文献信息

• Use of 3-methoxy-pregnenolone in the production of a medicament for treating neurodegenerative diseases
  申请人：Baulieu Etienne-Emile

  公开号：US20060199790A1

  公开（公告）日：2006-09-07

  The invention relates to a novel use of derivatives of neurosteroids, particularly pregnenolone, for the treatment of acute or chronic lesions of the nervous system, especially certain neurodegenerative diseases, related in particular to the ability thereof to stabilize and/or increase the polymerization of neuronal microtubules.

  本发明涉及神经类固醇衍生物的新用途，特别是孕酮衍生物，用于治疗神经系统的急性或慢性损伤，特别是某些神经退行性疾病，尤其是由于其稳定和/或增加神经元微管的聚合能力。
• Non-Bioconvertible C3-Substituted Pregnenolone Derivatives for Use in the Treatment of Treatment-Resistant Depression
  申请人：MAPREG

  公开号：US20170252358A1

  公开（公告）日：2017-09-07

  The present invention relates to methods for the treatment of treatment-resistant depression (TRD), comprising the administration of compounds of formula (I), which are blocked in C 3 position and cannot metabolize in vivo into pregnenolone derivatives and which do not have significant affinity for steroid hormonal receptors and for all tested classical main receptors and receptors of neurotransmitters of the central nervous system.

  本发明涉及治疗难治性抑郁症（TRD）的方法，包括给予式(I)化合物的治疗，该化合物在C3位置被阻断，不能在体内代谢成孕酮衍生物，并且对类固醇激素受体、所有经过测试的经典主要受体以及中枢神经系统神经递质受体没有显著的亲和力。
• [EN] ANTAGONISTS OF CB1 RECEPTOR.<br/>[FR] ANTAGONISTES DU RÉCEPTEUR CB1
  申请人：INST NAT SANTE RECH MED

  公开号：WO2012160006A1

  公开（公告）日：2012-11-29

  The invention relates to an antagonist of CB1 receptor for use in the treatment of a pathologic condition or disorder selected from the group consisting of bladder and gastrointestinal disorders; inflammatory diseases; cardiovascular diseases; nephropathies; glaucoma; spasticity; cancer; osteoporosis; metabolic disorders; obesity; addiction, dependence, abuse and relapse related disorders; psychiatric and neurological disorders; neurodegenerative disorders; autoimmune hepatitis and encephalitis; pain; reproductive disorders and skin inflammatory and fibrotic diseases.

  本发明涉及CB1受体拮抗剂，用于治疗以下病理状况或疾病的成员组：膀胱和胃肠道疾病；炎症性疾病；心血管疾病；肾病；青光眼；痉挛性疾病；癌症；骨质疏松；代谢性疾病；肥胖症；成瘾、依赖、滥用和复发相关疾病；精神和神经疾病；神经退行性疾病；自身免疫性肝炎和脑炎；疼痛；生殖系统疾病和皮肤炎性和纤维化疾病。
• Use of 3-methoxy-pregnenolone for the preparation of a drug for treating depressive disorders and long-term neurological diseases
  申请人：Mapreg

  公开号：US08334278B2

  公开（公告）日：2012-12-18

  The invention relates to the therapeutic use of pregnenolone derivatives for treating depressive disorders and long-term neurological diseases.

  本发明涉及使用孕酮衍生物治疗抑郁症和长期神经疾病的治疗方法。
• Synthesis and use of reagents for improved DNA lipofection and/or slow release prodrug and drug therapies
  申请人：Diamond L. Scott

  公开号：US20050069577A1

  公开（公告）日：2005-03-31

  The invention relates to compositions and methods for a one-step synthetic technique for making cationic steroid or cationic drug molecules for use as delivery vehicles. The invention further relates to methods for using cationic steroid molecules in lipofection or transfection, delivery of drugs, and for treatment of inflammation and other diseases and disorders. The invention also relates to cationic steroid prodrugs and cationic prodrugs and to methods of modifying drugs.

  本发明涉及一种用于制备阳离子类固醇或阳离子类药物分子的一步合成技术的组合物和方法，用作传递载体。该发明还涉及使用阳离子类固醇分子进行脂质体转染或转染、药物传递以及治疗炎症和其他疾病和障碍的方法。该发明还涉及阳离子类固醇前药和阳离子前药以及修改药物的方法。