pregna-5,16-dien-20-one | 60069-43-4

• 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: pregna-5,16-dien-20-one
• 英文别名: Pregna-5,16-dien-20-one；1-[(8R,9S,10R,13S,14S)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
• CAS: 60069-43-4
• 化学式: C₂₁H₃₀O
• 分子量: 298.469
• InChiKey: LFAFZZXTPYTILE-RKFFNLMFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  pregna-5,16-dien-20-one 在 乙酰氯 、 sodium nitrite 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以48%的产率得到1-((8R,9S,10R,13S,14S)-10,13-Dimethyl-16-nitro-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone
  参考文献：
  名称：

  Goswami, Papori; Chowdhury, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 10, p. 1221 - 1222

  摘要：

  DOI：
• 作为产物：
  描述：

  3β-benzenesulfonyloxy-pregna-5,16-dien-20-one 在 sodium iodide 、 锌 作用下， 以 乙二醇二甲醚 为溶剂， 生成 pregna-5,16-dien-20-one
  参考文献：
  名称：

  Reductive cyclizations involving attack of radical anions derived from ketones, aldehydes and enones on isolated carbon-carbon triple and double bonds. Application of frontier molecular orbitals

  摘要：

  DOI：

  10.1021/jo00326a004

文献信息

• Aqueous Reduction of Iodosteroids to Deoxysteroids
  作者：Changsheng Liu、Lili Sun、Chunbao Li

  DOI：10.3184/174751914x13968892307636

  日期：2014.5

  A new method for the reduction of iodosteroids to deoxysteroids has been developed using Zn, HCOOH and a catalytic amount of Aliquat 336 in water. In total, 13 iodosteroids were reduced in good to excellent yields. The higher solubilities of the substrates lead to the faster reactions, and the aqueous reaction was efficiently accelerated by granular polytetrafluoroethylene. The advantage of the aqueous system over eight organic solvents has also been demonstrated.

  利用 Zn、HCOOH 和催化量的 Aliquat 336 在水中还原碘甾类化合物为脱氧甾类化合物的新方法已经开发出来。共还原出 13 种碘甾类化合物，收率从良好到极佳。底物的溶解度越高，反应速度越快，粒状聚四氟乙烯能有效加速水反应。水性体系相对于八种有机溶剂的优势也得到了证实。
• Medicaments for hypolipidemic and hypoglycemic conditions
  申请人：Council of Scientific and Industrial Research

  公开号：EP1020191A1

  公开（公告）日：2000-07-19

  The invention provides a method of using pregnadienones and pregnadienols represented by the structural formula (I) as shown herein below Wherein X=OH or O or combination thereof and positioning of olefinic bonds are at 4(5); 5(6); 6(17); 17(20) or various combinations and said compounds containing at least one olefinic bond in or on their D-ring for the treatment of hypolipidemic and hypoglycemic conditions in mammals, said method comprising administering an effective amount of the said compounds to the recipient mammals.

  本发明提供了一种使用下述结构式（I）所代表的孕二烯酮和孕二烯醇的方法 其中X=OH或O或其组合，烯烃键的定位为4(5)；5(6)；6(17)；17(20)或各种组合，且所述化合物在其D环中或D环上含有至少一个烯烃键，用于治疗哺乳动物的降脂和降糖病症，所述方法包括向受体哺乳动物施用有效量的所述化合物。
• Antagonists of CB1 receptor
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

  公开号：US10040816B2

  公开（公告）日：2018-08-07

  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.

  本发明涉及一种 CB1 受体拮抗剂，用于治疗选自以下组别的病理状况或紊乱：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；癌症；骨质疏松症；代谢紊乱；肥胖；成瘾、依赖、滥用和复发相关紊乱；精神和神经紊乱；神经退行性疾病；自身免疫性肝炎；骨质疏松症；代谢紊乱；肥胖；成瘾、依赖、滥用和复发相关疾病；精神和神经系统疾病；神经退行性疾病；自身免疫性肝炎和脑炎；疼痛；生殖系统疾病以及皮肤炎症和纤维化疾病。
• NITROGEN REJECTION FROM CONDENSED NATURAL GAS
  申请人：AIR PRODUCTS AND CHEMICALS, INC.

  公开号：EP1627030A1

  公开（公告）日：2006-02-22
• ANTAGONISTS OF CB1 RECEPTOR
  申请人：INSERM - Institut National de la Santé et de la Recherche Médicale

  公开号：EP2709631B1

  公开（公告）日：2017-01-11