6-去氢脱氧皮质酮乙酸酯 | 21589-90-2

• 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: 6-去氢脱氧皮质酮乙酸酯
• 英文名称: 21-hydroxypregn-4,6-diene-3,20-dione 21-acetate
• 英文别名: 21-acetoxy-pregna-4,6-diene-3,20-dione；21-Acetoxy-pregna-4,6-dien-3,20-dion；21-Acetoxy-pregnadien-(4.6)-dion-(3.20)；[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• CAS: 21589-90-2
• 化学式: C₂₃H₃₀O₄
• 分子量: 370.489
• InChiKey: NHIPOYQWSUQCGL-ACXQXYJUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-去氢脱氧皮质酮乙酸酯 生成 7α-(2-carboxyethylthio)-21-hydroxypregn-4-ene-3,20-dione 21-acetate
  参考文献：
  名称：

  KOUADIO, LUC;BERNARD, PHILIPPE;SABOT, JEAN F.;PETIT-RAMEL, MICHELLE M.;BA+, STEROIDS, 51,(1988) N-4, C. 349-361

  摘要：

  DOI：
• 作为产物：
  描述：

  21-乙酰氧基孕烯醇酮 在 manganese(IV) oxide 、 苯 作用下， 生成 6-去氢脱氧皮质酮乙酸酯
  参考文献：
  名称：

  Steroids. LI.¹ Δ^4,6-Dien-3-ones^2,3

  摘要：

  DOI：

  10.1021/ja01119a044

文献信息

• Mikrobiologische Hydroxylierungen von Cortexon in der 7?-, 15?- oder 15?-Stellung. Mikrobiologische Reaktionen, 5. Mitteilung
  作者：Ch. Meystre、E. Vischer、A. Wettstein

  DOI：10.1002/hlca.19550380202

  日期：——

  In continuation of our earlier work certain fungi were detected which are capable of hydroxylating steroids at further carbon atoms of the nucleus. These microbiological procedures have made possible the preparation of new cortexone derivatives with an additional hydroxyl group in 7α-, 15α- or 15β-position. The elucidation of the constitution of these compounds by degradation and chemical connection

  在我们的早期工作的延续中，检测到了某些能够在细胞核其他碳原子上使类固醇羟基化的真菌。这些微生物程序使得制备具有在7α-，15α-或15β-位的额外羟基的新皮质酮衍生物成为可能。已经完成了通过降解和与已知类固醇的化学连接来阐明这些化合物的组成的说明。从观察到的分子旋转差异中，可将洋地黄皂苷的构型建议为2α，3β，15α-三羟基-5α，22 a-螺烷烷。
• Herstellung weiterer 1-Dehydro-steroide auf mikrobiologischem Wege. Mikrobiologische Reaktionen, 7.Mitteilung
  作者：E. Vischer、Ch. Meystre、A. Wettstein

  DOI：10.1002/hlca.19550380623

  日期：——

  Certain fungi of the genus Didymella were detected which are particularly suitable for the enzymatic introduction of an 1,2-double-bond into Δ4-3-keto-steroids. In this way a number of new 1-dehydro-steroids have been prepared.

  检测蔓该属的某些真菌特别适合于酶引入1,2-双键进Δ 4 -3-酮-类固醇。以这种方式，已经制备了许多新的1-脱氢类固醇。
• Pregnanes and pregnane glycosides from the roots of Apocynum venetum var. basikurumon (Apocynum. I).
  作者：FUMIKO ABE、TSUNEATSU NAGAO、YUJIRO MORI、TATSUO YAMAUCHI、YASUHISA SAIKI

  DOI：10.1248/cpb.35.4087

  日期：——

  Three piscicidal pregnanes including two known defense substances of water beetles and four pregnane glycosides having the same aglycone as that of teikaside A were isolated from the roots of Apocynum venetum L. var.basikurumon HARA and their structures were determined.

  从 Apocynum venetum L. var.basikurumon HARA 的根中分离出了三种杀鱼孕甾烷，包括两种已知的水甲虫防御物质和四种孕甾烷苷，其苷酮与 teikaside A 相同，并确定了它们的结构。
• Structural analysis of 21-hydroxypregn-4-ENE-3,20-dione (deoxycorticosterone) derivative compounds. Part I: Synthesis and circular dichroism identification
  作者：Luc Kouadio、Philippe Bernard、Jean F. Sabot、Michelle M. Petit-Ramel、Claudette M. Barbier、Pinatel Henri J.

  DOI：10.1016/0039-128x(88)90024-4

  日期：1988.3

  Deoxycorticosterone (DOC) derivative compounds (DOC, DOC 21-acetate, and 7-mercaptopropionic DOC) have been prepared and purified by high pressure liquid chromatography. Synthesis products have been identified, and three chromophores have been displayed by their n----II and II----II dichroic transitions. A normal half-chair conformation is favored in ring A.

  已制备了脱氧皮质酮（DOC）衍生物化合物（DOC，21-乙酸DOC和7-巯基丙酸DOC）并通过高压液相色谱法纯化。已经鉴定出合成产物，并且通过它们的n ---- II和II ---- II二色性转变显示了三个发色团。正常的半椅构型在A环中更受欢迎。
• Mineralocorticoid hormone antagonists
  申请人：——

  公开号：US04603128A1

  公开（公告）日：1986-07-29

  7.alpha.-acylthio-4-pregnene-3,20-diones, active as mineralocorticoid hormone antagonists, of the formula: ##STR1## in which R.sub.1 is hydrogen, hydroxyl or acyloxy --OR.sub.2, R.sub.2 is an acyl group derived from a straight or branched-chain alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl or heterocyclic carboxylic acid having up to 12 carbon atoms.

  7.alpha.-酰基硫基-4-孕烯-3,20-二酮，作为矿物质皮质激素拮抗剂，其化学式为：##STR1## 其中R.sub.1是氢、羟基或酰氧基--OR.sub.2，R.sub.2是来自直链或支链烷基、烯基、炔基、环烷基、环烯基、芳香族或杂环羧酸的酰基，其碳原子数最多为12。