19-Chlor-androst-4-en-3,17-dion | 5884-76-4

• 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: 19-Chlor-androst-4-en-3,17-dion
• 英文别名: 3,17-Dioxo-19-chlorandrost-4-en；19-Chloroandrost-4-ene-3,17-dione；(8S,9S,10S,13S,14S)-10-(chloromethyl)-13-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
• CAS: 5884-76-4
• 化学式: C₁₉H₂₅ClO₂
• 分子量: 320.859
• InChiKey: WHGUVOOFOVRJRJ-BGJMDTOESA-N

物化性质

• 熔点：
  182-184 °C
• 沸点：
  474.4±45.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  19-Chlor-androst-4-en-3,17-dion 生成 5β,19-Cycloandrostane-3,17-dione
  参考文献：
  名称：

  Steroids. CCLXXVIII.¹ Reductions of 19-Substituted Androst-4-en-3-ones and Related Compounds

  摘要：

  DOI：

  10.1021/jo01018a019
• 作为产物：
  描述：

  3,17-Dioxo-19-methansulfonyloxy-Δ⁴-androsten 在 lithium chloride 作用下， 以 异丙醇 为溶剂， 生成 19-Chlor-androst-4-en-3,17-dion
  参考文献：
  名称：

  Solvolyse von 3,17-Dioxo-19-mesyloxy-?4-androsten. �ber Steroide, 216. Mitteilung

  摘要：

  Abstract3,17‐Dioxo‐19‐mesyloxy‐Δ4‐androstene was reacted with lithiumchloride in isopropanol. In addition to the mainly formed 3,17‐dioxo‐19‐chloro‐Δ4‐androstene two side products were isolated and identified as 6ß‐methylestrone and 3,17‐dioxo‐B‐homo‐Δ4,6‐19‐norandrostadiene.

  DOI：

  10.1002/hlca.19690520212

文献信息

• Methods and compositions for the treatment of estrogen-dependent hyperproliferative uterine disorders
  申请人：Wang Changjin

  公开号：US20100087402A1

  公开（公告）日：2010-04-08

  The present invention relates to the treatment of estrogen-dependent hyperproliferative uterine disorders including endometriosis, uterine fibroids, endometrial hyperplasia, uterine cancer, and their related symptoms by intravaginally administering at least two active agents selected from an aromatase inhibitor, an antiinflammatory agent, and a uterine-selective estrogen receptor antagonist. This combination therapy reduces local estrogen production, blocks local estrogen action, and suppresses inflammation locally, resulting in starvation of the estrogen-dependent diseased tissues, relief of related symptoms, and retardation of disease progression. Intravaginal delivery maximizes local inhibition of estrogen production without significantly affecting systemic circulating estrogen levels. This results in enhanced clinical efficacy and reduced side effects.

  本发明涉及治疗依赖雌激素的子宫过度增生性疾病，包括子宫内膜异位症、子宫肌瘤、子宫内膜增生、子宫癌及其相关症状，通过阴道给药至少两种活性药物，所选药物包括芳香化酶抑制剂、抗炎药和子宫选择性雌激素受体拮抗剂。这种联合疗法降低了局部雌激素产生，阻断了局部雌激素作用，并在局部抑制了炎症，导致对依赖雌激素的疾病组织的饥饿，缓解相关症状，延缓疾病进展。阴道给药最大限度地抑制了局部雌激素产生，而不显著影响全身循环雌激素水平。这导致增强的临床疗效和减少的副作用。
• WRIGHT, J. NEVILLE;VAN, LEERSUM PHILLIP T.;CHAMBERLIN, STEPHEN G.;AKHTAR,+, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 1647-1655
  作者：WRIGHT, J. NEVILLE、VAN, LEERSUM PHILLIP T.、CHAMBERLIN, STEPHEN G.、AKHTAR,+

  DOI：——

  日期：——
• Methods and Compositions for the Treatment of Estrogen-Dependent Hyperproliferative Uterine Disorders
  申请人：Vivus, Inc.

  公开号：US20140080794A1

  公开（公告）日：2014-03-20

  The present invention relates to the treatment of estrogen-dependent hyperproliferative uterine disorders including endometriosis, uterine fibroids, endometrial hyperplasia, uterine cancer, and their related symptoms by intravaginally administering at least two active agents selected from an aromatase inhibitor, an antiinflammatory agent, and a uterine-selective estrogen receptor antagonist. This combination therapy reduces local estrogen production, blocks local estrogen action, and suppresses inflammation locally, resulting in starvation of the estrogen-dependent diseased tissues, relief of related symptoms, and retardation of disease progression. Intravaginal delivery maximizes local inhibition of estrogen production without significantly affecting systemic circulating estrogen levels. This results in enhanced clinical efficacy and reduced side effects.
• Steroids. CCLXXVIII.¹ Reductions of 19-Substituted Androst-4-en-3-ones and Related Compounds
  作者：L. H. Knox、E. Blossey、H. Carpio、L. Cervantes、P. Crabbé、E. Velarde、J. A. Edwards

  DOI：10.1021/jo01018a019

  日期：1965.7
• Solvolyse von 3,17-Dioxo-19-mesyloxy-?4-androsten. �ber Steroide, 216. Mitteilung
  作者：P. Wieland、G. Anner

  DOI：10.1002/hlca.19690520212

  日期：——

  Abstract3,17‐Dioxo‐19‐mesyloxy‐Δ4‐androstene was reacted with lithiumchloride in isopropanol. In addition to the mainly formed 3,17‐dioxo‐19‐chloro‐Δ4‐androstene two side products were isolated and identified as 6ß‐methylestrone and 3,17‐dioxo‐B‐homo‐Δ4,6‐19‐norandrostadiene.