3,16alpha-二羟基雌甾-1,3,5(10)-三烯-17-酮3,16-二乙酸酯 | 1247-71-8

• 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: 3,16alpha-二羟基雌甾-1,3,5(10)-三烯-17-酮3,16-二乙酸酯
• 英文名称: 3,16α-diacetoxy-1,3,5(10)-estratrien-17-one
• 英文别名: 16α-hydroxyestrone diacetate；estrogen；3,16α-diacetoxy-estra-1,3,5(10)-trien-17-one；3,16α-Diacetoxy-oestra-1,3,5(10)-trien-17-on；3,16α-dihydroxy-oestra-1,3,5(10)-trien-17-one diacetate；3,16α-Dihydroxy-oestratrien-1,3,5(10)-on-(17)-diacetat；Colpormon；[(8R,9S,13S,14S,16R)-3-acetyloxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] acetate
• CAS: 1247-71-8
• 化学式: C₂₂H₂₆O₅
• 分子量: 370.445
• InChiKey: QZQSENRWYLQIPC-JPVHLGFFSA-N

物化性质

• 熔点：
  179-180°
• 比旋光度：
  D28 +122° (chloroform)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,16alpha-二羟基雌甾-1,3,5(10)-三烯-17-酮3,16-二乙酸酯 在 lithium aluminium tetrahydride 、 乙醚 、 苯 作用下， 生成 雌三醇
  参考文献：
  名称：

  Studies of Steroid Ring D Epoxides of Enol Acetates; A New Synthesis of Estriol and of Androstane-3β,16α,17β-triol¹

  摘要：

  DOI：

  10.1021/ja01640a026
• 作为产物：
  描述：

  3,17β-diacetoxy-16α,17α-epoxy-estra-1,3,5(10)-triene 生成 3,16alpha-二羟基雌甾-1,3,5(10)-三烯-17-酮3,16-二乙酸酯
  参考文献：
  名称：

  Studies of Steroid Ring D Epoxides of Enol Acetates; A New Synthesis of Estriol and of Androstane-3β,16α,17β-triol¹

  摘要：

  DOI：

  10.1021/ja01640a026

文献信息

• Nitric Oxide Releasing Prodrugs of Therapeutic Agents
  申请人：SATYAM Apparao

  公开号：US20110263526A1

  公开（公告）日：2011-10-27

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them and to methods of using the prodrugs.

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。
• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• Novel 17-amino-16-hydroxy steroids of the androstane and oestrane series
  申请人：Akzo nv

  公开号：US04330539A1

  公开（公告）日：1982-05-18

  New and pharmacologically useful 17-amino-16-hydroxy-steroids of the androstane and oestrane series are disclosed having the formula I: ##STR1## and pharmaceutically acceptable non-toxic acid addition salts thereof, wherein: R.sub.1 =H or hydrocarbyl of one to six carbon atoms (preferably lower alkyl, such as methyl); R.sub.2 =H or hydrocarbyl of one to six carbon atoms (preferably lower alkyl, such as methyl); R.sub.3 =a free, esterified or etherified hydroxyl group; ring A inclusive carbon atoms 6 and 9 has one of the following configurations: ##STR2## in which R.sub.4 =a free, esterified or etherified hydroxyl group; R.sub.5 =O or H(R.sub.7), wherein R.sub.7 is a free, esterified or etherified hydroxyl group; R.sub.6 =H or methyl; and the dotted lines represent an optional double bond in 4,5- or 5,6-position; as well as the enantiomers and racemates of these steroids. The novel compounds have antiarrhythmic properties.

  本发明揭示了具有以下化学式I的雄烷和雌烷系列的新型、药理学上有用的17-氨基-16-羟基类固醇，以及其药学上可接受的无毒酸盐，其中：R.sub.1 = H或含有1至6个碳原子的烃基（优选为较低的烷基，如甲基）；R.sub.2 = H或含有1至6个碳原子的烃基（优选为较低的烷基，如甲基）；R.sub.3 = 自由、酯化或醚化的羟基基团；环A包括碳原子6和9具有以下配置之一：其中R.sub.4 = 自由、酯化或醚化的羟基基团；R.sub.5 = O或H(R.sub.7)，其中R.sub.7是自由、酯化或醚化的羟基基团；R.sub.6 = H或甲基；虚线代表4,5-或5,6-位的可选双键；以及这些类固醇的对映体和拉氏体。这些新型化合物具有抗心律失常的特性。
• Preparation of Some Estriol Esters.
  作者：Kiyoshi Tsuneda、Joji Yamada、Kikuo Yasuda、Hiromu Mori

  DOI：10.1248/cpb.11.510

  日期：——

  Estriol 16-monoacylates were obtained from estriol (I) by refluxing or warming estriol with carboxylic acids. A more drastic condition afforded estriol 16, 17-diacylates. Transesterification gave the same results. The reactions of estriol triacylates and estradiol diacylates with sodium borohydride gave estriol 16, 17-diacylates and estradiol 17-acylates, respectively. 3, 16α-Dihydroxyestra-1, 3, 5 (10)-trien-17-one diacetate (III) was transformed into estriol 16-acetate (IIa) by treatment with sodium borohydride. A milder condition afforded estriol 3, 16-diacetate (VI).

  通过将雌三醇与羧酸一起回流或加热，可从雌三醇（I）中获得雌三醇 16-单乙酸酯。在更苛刻的条件下，可以得到雌三醇 16、17-二乙酸酯。酯交换反应也得到了相同的结果。雌三醇三乙酸酯和雌二醇二乙酸酯与硼氢化钠反应，分别生成雌三醇 16、17-二乙酸酯和雌二醇 17-乙酸酯。3，16α-二羟基雌甾-1，3，5 (10)-三烯-17-酮二乙酸酯（III）经硼氢化钠处理转化为雌三醇 16-乙酸酯（IIa）。在较温和的条件下，可得到雌三醇 3，16-二乙酸酯（VI）。
• Technology for the Preparation of Microparticles
  申请人：Malakhov Michael

  公开号：US20090098207A1

  公开（公告）日：2009-04-16

  Microspheres are produced by contacting a solution of a macromolecule or small molecule in a solvent with an antisolvent and a counterion, and chilling the solution. The microspheres are useful for preparing pharmaceuticals, nutraceuticals, cosmetic products and the like of defined dimensions.

  微球是通过将溶液中的大分子或小分子与抗溶剂和对离子接触，并冷却溶液而制备的。这些微球可用于制备具有明确定义尺寸的药物、营养保健品、化妆品等产品。