16-alpha-甲基孕甾烯醇酮 | 16394-71-1

• 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
• 中文名称: 16-alpha-甲基孕甾烯醇酮
• 中文别名: 16-α-甲基孕烯醇酮
• 英文名称: 16α-methyl-3β-hydroxy-5-pregnen-20-one
• 英文别名: 3β-hydroxy-16α-methylpregn-5-en-20-one；3β-hydroxy-16α-methyl-pregn-5-en-20-one；3β-Hydroxy-16α-methyl-pregn-5-en-20-on；16α-methylpregnenolone；Pregn-5-en-20-one, 3beta-hydroxy-16alpha-methyl-；1-[(3S,8S,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
• CAS: 16394-71-1
• 化学式: C₂₂H₃₄O₂
• 分子量: 330.511
• InChiKey: XXSFRYVGIQYVIQ-RDTLVLTASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  16-alpha-甲基孕甾烯醇酮 在 甲醇 、 氢氧化钾 、 二氯甲烷 、 水 、 sodium methylate 、 甲苯 、 苯 作用下， 生成 3β-acetoxy-16α-methyl-20,23-dioxo-21-nor-chol-5-en-24-oic acid methyl ester
  参考文献：
  名称：

  16α-甲基的立体效应对四氢异戊二烯化合物侧链反应的影响

  摘要：

  在1,4-加成甲基碘化到Δ收率16 -allopregnene-20的人通过使用四氢呋喃作为溶剂改善，并且将反应物施加到数的11 -取代的和未被取代的化合物，为Δ 16 -21-乙酰氧基-20-酮，也可以16-脱氢黄体酮。

  DOI：

  10.1002/hlca.19590420636
• 作为产物：
  描述：

  3'-H-cyclopropa<16,17α>pregn-5-en-3β-ol-20-one 3-acetate 在 乙醇 、 镍 作用下， 反应 65.0h， 生成 16-alpha-甲基孕甾烯醇酮
  参考文献：
  名称：

  Transformed steroids

  摘要：

  DOI：

  10.1007/bf00961627

文献信息

• Dehydroepiandrosterone (DHEA) congeners for prevention and/or treatment of ulcers
  申请人：——

  公开号：US20040121991A1

  公开（公告）日：2004-06-24

  The present invention is related to acute therapeutic uses of dehydroepiandrosterone (DHEA) congeners. These uses include methods for treating or preventing ulcers which comprise administering to a subject either at risk or in need thereof having an ulcer a therapeutic amount of DHEA congener.

  本发明涉及脱氢表雄酮（DHEA）类似物的急性治疗用途。这些用途包括治疗或预防溃疡的方法，包括向患有溃疡风险或需要治疗的受试者施用治疗量的DHEA类似物。
• Crystal structure of 3β-acetoxy-17α-hydroxy-16α-methylallopregnan-20-one hemihydrate
  作者：Pankaj Bandhoria、Vivek K. Gupta、B. D. Gupta、B. Varghese

  DOI：10.1007/s10870-005-9040-x

  日期：2006.7

  the chair conformation. Ring D is in envelop conformation. The acetoxy and acetyl substituents are twisted with respect to the average molecular plane of the steroid. The twist along the length of the steroid molecule is negligible [C19–C10···C13–C18 = 2.3°]. In the crystal structure, the water molecule lies on a twofold axis which links the molecules into infinite supramolecular chains through OW–H···O

  3β-Acetoxy-17α-hydroxy-16α-methylallopregnan-20-one，C24H38O4·0.5H2O，是合成地塞米松（一种重要的皮质类固醇）的中间体。该化合物在单斜空间群 C2 中结晶，晶胞参数为：a = 10.665(2) Å，b = 7.497(1) Å，c = 28.200(4) Å，β = 92.74(2)°，Z = 4。晶体结构已通过直接方法求解，并针对 1579 次观察到的反射精制至 R = 0.0419。类固醇骨架的所有环都是反式连接的。环A、B和C都在椅子构象中。环 D 呈信封构象。乙酰氧基和乙酰基取代基相对于类固醇的平均分子平面是扭曲的。沿类固醇分子长度的扭曲可以忽略不计[C19–C10…C13–C18 = 2.3°]。在晶体结构中，
• Nebulizer formulations of dehydroepiandrosterone and methods of treating asthma or chronic obstructive pulmonary disease using compositions thereof
  申请人：——

  公开号：US20040067920A1

  公开（公告）日：2004-04-08

  This invention relates to a sealed container containing a powder formulation comprising a dehydroepiandrosterone, its analogue(s) or salt(s) by itself or with a pharmaceutically or veterinarily acceptable carrier or diluent, and having a particle size of about 0.1 &mgr;m to about 100 &mgr;m. The formulation can be used to treat or prevent asthma, chronic obstructive pulmonary disease, lung inflammation, and other respiratory diseases or conditions. The formulation may be prepared by jet milling, and may be delivered through the respiratory tract or other routes using a nebulizer. The sealed container is provided in a device and/or a therapeutic kit.

  本发明涉及一种装有粉末制剂的密封容器，该制剂本身或与药学上或兽医学上可接受的载体或稀释剂一起含有脱氢表雄酮、其类似物或盐，其粒度约为 0.1mgr;m 至约 100mgr;m。该制剂可用于治疗或预防哮喘、慢性阻塞性肺病、肺部炎症和其他呼吸道疾病或病症。制剂可通过喷射研磨制备，并可使用雾化器通过呼吸道或其他途径输送。密封容器装在设备和/或治疗包中。
• Co-administration of dehydroepiandrosterone (DHEA) congener with parthenolide for treating inflammation
  申请人：Patel Dinesh

  公开号：US20060122160A1

  公开（公告）日：2006-06-08

  The present invention is related to therapeutic uses of dehydroepiandrosterone (DHEA) congeners. More specifically, the present invention relates to the co-administration of a dehydroepiandrosterone (DHEA) congener in combination with a parthenolide to reduce inflammation.

  本发明涉及脱氢表雄酮（DHEA）同系物的治疗用途。更具体地说，本发明涉及将脱氢表雄酮（DHEA）同系物与一种非那雄胺联合施用以减轻炎症。
• Co-administration of dehydroepiandrosterone (DHEA) congeners and other active agents for treating depression
  申请人：Patel Dinesh

  公开号：US20060154908A1

  公开（公告）日：2006-07-13

  The present invention is drawn to compositions and methods for treating depression in a subject comprising co-administering therapeutically effective amounts of a DHEA congener and a second antidepressant agent to the subject, wherein the step of co-administrating is more effective in producing an anti-depressive effect compared to the administration of either the DHEA congener or the second antidepressant agent alone at their respective dosages.

  本发明涉及用于治疗受试者抑郁症的组合物和方法，包括向受试者联合施用治疗有效量的 DHEA 同系物和第二种抗抑郁剂，其中联合施用的步骤与以各自的剂量单独施用 DHEA 同系物或第二种抗抑郁剂相比，能更有效地产生抗抑郁效果。