3β-Hydroxy-17β-(N,N-dimethylamino)-5α-androstane | 1042-61-1

• 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: 3β-Hydroxy-17β-(N,N-dimethylamino)-5α-androstane
• 英文别名: 17β-Dimethylamino-5α-androstan-3β-ol；(3S,5S,8R,9S,10S,13S,14S,17S)-17-(dimethylamino)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 1042-61-1
• 化学式: C₂₁H₃₇NO
• 分子量: 319.531
• InChiKey: ZSTQCIVAAMTXKR-QKSWPAOXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3β-Hydroxy-17β-(N,N-dimethylamino)-5α-androstane 在 jones' reagent 作用下， 以 甲醇 、 水 、 丙酮 为溶剂， 生成 17β-Dimethylamino-3-pyrrolidino-2,5α-androstene
  参考文献：
  名称：

  Singh, Harkishan; Gupta, Rakesh Kumar; Bhardwaj, Tilak Raj, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 508 - 512

  摘要：

  DOI：

文献信息

• Synthesis and antiarrhythmic activity of epimeric 17-amino-5α-androstan-3-ols and their derivatives
  作者：N. Sh. Nadaraia、V. I. Sladkov、E. V. Dorodnikova、M. D. Mashkovskii、E. P. Kemertelidze、N. N. Suvorov

  DOI：10.1007/bf00758270

  日期：1988.3

  some readily accessible, simpler 5asteroids, namely the 17-amino-5-a-androstan-3-ols (I-IV) which are epimeric at C(3) and C(7), and examined their antiarrhythmic activity~ The greatest activity was shown by the 38, 178epimer (I), which was used to obtain a series of N-alkyl and N-aminoacyl derivatives.

  一些不具有激素特性的甾体胺具有抗心律失常、降血压或强心作用 [3, 6, 9]。Campbell 和 Williams [5] 推荐使用 3=-amino-5=-androstan-28-ol-17-one 治疗心律失常。我们现在已经从自制的植物材料中合成了一些容易获得的、更简单的 5asteroid，即 17-amino-5-a-androstan-3-ols (I-IV)，它们在 C(3) 和 C(7) 处是差向异构的, 并检查了它们的抗心律失常活性~ 38, 178 差向异构体 (I) 显示出最大的活性，它被用来获得一系列 N-烷基和 N-氨酰基衍生物。
• NADARAJA, N. SH.;SLADKOV, V. I.;DORODNIKOVA, E. V.;MASHKOVSKIJ, M. D.;KEM+, XIM.-FARMATS. ZH., 22,(1988) N 3, 288-293
  作者：NADARAJA, N. SH.、SLADKOV, V. I.、DORODNIKOVA, E. V.、MASHKOVSKIJ, M. D.、KEM+

  DOI：——

  日期：——
• SINGH, HARKISHAN;GUPTA, RAKESH KUMAR;BHARDWAJ, TILAK RAJ, INDIAN J. CHEM. B., 27,(1988) N 6, C. 508-512
  作者：SINGH, HARKISHAN、GUPTA, RAKESH KUMAR、BHARDWAJ, TILAK RAJ

  DOI：——

  日期：——
• Sepsis Treatment Methods
  申请人：Reading L. Christopher

  公开号：US20070213309A1

  公开（公告）日：2007-09-13

  The invention relates to the use of compounds to ameliorate or treat an condition such as a cystic fibrosis, neutropenia or other exemplified conditions. Exemplary compounds that can be used include 3η-hydroxy-17β-aminoandrost-5-ene, 3β-hydroxy-16α-fluoro-17β-aminoandrost-5-ene, 3α-hydroxy-16α-fluoro-17β-aminoandrost-5-ene, 3β-hydroxy-16β-fluoro-17β-aminoandrost-5-ene, 1α,3β-dihydroxy-4α-fluoroandrost-5-ene-17-one, 1α,3β,17β-trihydroxy-4α-fluoroandrost-5-ene, 1β,3β-dihydroxy-6α-bromoandrost-5-ene, 1α-fluoro-3β,12α-dihydroxyandrost-5-ene-17-one, 1α-fluoro-3β,4α-dihydroxyandrost-5-ene and 4α-fluoro-3β,6α,17β-trihydroxyandrostane.
• Asthma Treatment Methods
  申请人：Reading L. Christopher

  公开号：US20070265236A1

  公开（公告）日：2007-11-15

  The invention relates to the use of compounds to ameliorate or treat an condition such as a cystic fibrosis, neutropenia or other exemplified conditions. Exemplary compounds that can be used include 3β-hydroxy-17β-aminoandrost-5-ene, 3β-hydroxy-16α-fluoro-17β-aminoandrost-5-ene, 3α-hydroxy-16α-fluoro-17β-aminoandrost-5-ene, 3β-hydroxy-16β-fluoro-17β-aminoandrost-5-ene, 1α,3β-dihydroxy-4α-fluoroandrost-5-ene-17-one, 1α,3β,17β-trihydroxy-4α-fluoroandrost-5-ene, 1β,3β-dihydroxy-6α-bromoandrost-5-ene, 1α-fluoro-3β,12α-dihydroxyandrost-5-ene-17-one, 1α-fluoro-3β,4α-dihydroxyandrost-5-ene and 4α-fluoro-3β,6α,17β-trihydroxyandrostane.