孕甾-1,4-二烯-3,11,20-三酮 | 4368-11-0

• 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: 孕甾-1,4-二烯-3,11,20-三酮
• 英文名称: Pregn-1,4-diene-3,11,20-trione
• 英文别名: 1-dehydro-11-oxoprogesterone；pregna-1,4-diene-3,11,20-trione；Pregna-1,4-dien-3,11,20-trion；(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
• CAS: 4368-11-0
• 化学式: C₂₁H₂₆O₃
• 分子量: 326.436
• InChiKey: YZZVVLUNOZJXCM-DADBAOPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  51.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  孕甾-1,4-二烯-3,11,20-三酮 生成 (8S,9S,10R,13S,14S,17S)-17-[(E)-N-hydroxy-C-methylcarbonimidoyl]-10,13-dimethyl-7,8,9,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthrene-3,11-dione
  参考文献：
  名称：

  BUENDIA, JEAN;VIVAT, MICHEL

  摘要：

  DOI：
• 作为产物：
  描述：

  11Alpha-孕酮 在 chromium(VI) oxide 作用下， 生成 孕甾-1,4-二烯-3,11,20-三酮
  参考文献：
  名称：

  1-dehydro-11-keto progesterone

  摘要：

  公开号：

  US02883400A1

文献信息

• Pharmaceutical Product Comprising a P38 Kinase Inhibitor and a Second Active Ingredient
  申请人：Cooper Anne Elizabeth

  公开号：US20120028941A1

  公开（公告）日：2012-02-02

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is N-Cyclopropyl-3-fluoro-4-methyl-5[3-[[1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzamide or a salt thereof, and a second active ingredient selected from: a non-steroidal Glucocorticoid Receptor (GR Receptor) Agonist; an antioxidant; a β2 adrenoceptor agonist; a CCR1 antagonist; a chemokine antagonist (not CCR1); a corticosteroid; a CRTh2 antagonist; a DPI antagonist; an Histone Deacetylase activator; an IKK2 kinase inhibitor; a COX inhibitor; a lipoxygenase inhibitor; a leukotriene receptor antagonist; a MABA compound; an MPO inhibitor; a muscarinic antagonist; a PDE4 inhibitor; a PPARγ agonist; a protease inhibitor; a Statin; a thromboxane antagonist; a vasodilator; or, an ENAC blocker (Epithelial Sodium-channel blocker); and its use in the treatment of respiratory disease.

  该发明提供了一种制药产品、套装或组合物，包括第一活性成分N-环丙基-3-氟-4-甲基-5-[3-[[1-[2-[2-(甲氨基)乙氧基]苯基]环丙基]氨基]-2-氧代-1(2H)-吡嗪基]-苯甲酰胺或其盐，以及从以下选取的第二活性成分：非类固醇糖皮质激素受体（GR受体）激动剂；抗氧化剂；β2肾上腺素受体激动剂；CCR1拮抗剂；趋化因子拮抗剂（非CCR1）；皮质类固醇；CRTh2拮抗剂；DPI拮抗剂；组蛋白去乙酰化酶激活剂；IKK2激酶抑制剂；COX抑制剂；脂氧合酶抑制剂；白三烯受体拮抗剂；MABA化合物；MPO抑制剂；毛细血管抗药性剂；PDE4抑制剂；PPARγ激动剂；蛋白酶抑制剂；他汀类药物；前列腺素拮抗剂；扩血管剂；或者ENAC拮抗剂（上皮钠通道拮抗剂）；以及其在呼吸系统疾病治疗中的用途。
• Method of treating cancers with SAHA and pemetrexed
  申请人：Pluda James

  公开号：US20070117815A1

  公开（公告）日：2007-05-24

  The present invention relates to a method of treating cancer in a subject in need thereof, by administering to a subject in need thereof a first amount of a histone deacetylase (HDAC) inhibitor or a pharmaceutically acceptable salt or hydrate thereof, and a second amount of an anti-cancer agent. The HDAC inhibitor and the anti-cancer agent may be administered to comprise therapeutically effective amounts. In various aspects, the effect of the HDAC inhibitor and the anti-cancer agent may be additive or synergistic.

  本发明涉及一种治疗需要的受试者癌症的方法，通过向需要的受试者施用一定量的组蛋白去乙酰化酶（HDAC）抑制剂或其药用可接受的盐或水合物的第一量，以及一定量的抗癌药物。HDAC抑制剂和抗癌药物可以被施用以包含治疗有效量。在各种方面，HDAC抑制剂和抗癌药物的效果可能是相加的或协同的。
• Oxygen atom transfer from iodylbenzene to diphenyl diselenide - a convenient method for dehydrogenation of steroidal 3-ketones
  作者：Derek H. R. Barton、Jacek W. Morzycki、William B. Motherwell、Steven V. Ley

  DOI：10.1039/c39810001044

  日期：——

  Steroidal 3-ketones are smoothly dehydrogenated in high yield using benzeneseleninic anhydride generated in situ by oxygen atom transfer from iodylbenzene, PhIO2, to catalytic amounts of diphenyl diselenide; use of meta-iodylbenzoic acid in the above cycle has led to the development of an economical and experimentally convenient method avoiding chromatographic separations and with recovery of the m-iodobenzoic

  使用通过氧原子从碘苯PhIO 2转移到催化量的二苯基二硒化物而就地生成的苯硒酸酐，可以平稳地高产率地将甾类3-酮脱氢。使用的元在上述周期-iodylbenzoic酸导致的经济的和实验上便利的方法避免了色谱分离，并与回收的发展米-iodobenzoic羧酸和二苯基二硒化物。
• Steroids esterified in position 17 and thioesterified in position 21, a
  申请人：S.I.P.S.Y.

  公开号：US04427671A1

  公开（公告）日：1984-01-24

  Compounds of formula: ##STR1## wherein A and B each represent, independently of each other, a straight-chained or branched alkyl group having from 1 to 6 carbon atoms or a phenyl group optionally mono- or polysubstituted by alkyl radicals having from 1 to 6 carbon atoms, alkoxy groups having from 1 to 6 carbon atoms or halogen, T and U, independently of each other, represent hydrogen atoms or together form a double bond, V is a hydrogen atom or a methyl group at the .alpha.-position, W is a hydrogen atom or a halogen atom at the .alpha.-position, X is a hydroxy group at the .beta.-position and Y is a hydrogen atom or X and Y may together represent an oxygen atom, and Z.sub.1 is a hydrogen atom, a methyl group at the .alpha.- or .beta.-position, while Z.sub.2 is a hydrogen atom, or Z.sub.1 and Z.sub.2 together form a methylene group. These compounds have anti-inflammatory activity.

  化合物的式子为：##STR1## 其中A和B分别独立地表示1至6个碳原子的直链或支链烷基或苯基，该苯基可以选择性地通过1至6个碳原子的烷基基团、1至6个碳原子的烷氧基团或卤素进行单或多置换，T和U独立地表示氢原子或一起形成双键，V是氢原子或α位上的甲基基团，W是α位上的氢原子或卤素原子，X是β位上的羟基，Y是氢原子或X和Y可以一起表示氧原子，而Z.sub.1是氢原子、α位或β位上的甲基基团，而Z.sub.2是氢原子，或Z.sub.1和Z.sub.2一起形成亚甲基基团。这些化合物具有抗炎活性。
• Amino-9,10-secosteroids useful for treating head injury, spinal cord
  申请人：The Upjohn Company

  公开号：US04996318A1

  公开（公告）日：1991-02-26

  The amino-9,10-secosteroids ##STR1## of the present invention contain an amino group attached to the terminal carbon atom of the C.sub.17 -side chain and are useful as pharmaceutical agents for treating a number of conditions including spinal trauma, mild and/or moderate to severe head injury, etc.

  本发明的氨基-9,10-脱氢胆甾类化合物（##STR1##）在C.sub.17-侧链的末端碳原子上附有氨基基团，并可用作治疗多种疾病的药物，包括脊髓损伤、轻度和/或中度至重度头部损伤等。