(3aS,3bR,9bS,11aS)-7-羟基-11a-甲基-3a,3b,4,5,9b,10,11,11a-八氢菲并[1,2-c]呋喃-1(3H)-酮 | 15370-48-6

• 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: (3aS,3bR,9bS,11aS)-7-羟基-11a-甲基-3a,3b,4,5,9b,10,11,11a-八氢菲并[1,2-c]呋喃-1(3H)-酮
• 英文名称: 16-Oxaestrone
• 英文别名: (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-1-one
• CAS: 15370-48-6
• 化学式: C₁₇H₂₀O₃
• 分子量: 272.34
• InChiKey: HXULEQSFHCWJAZ-AIANPOQGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• New 2-substituted estra-1,3,5(10)-trien-17-ones as inhibitors of 17beta-hydroxy steroid dehydrogenase type 1
  申请人：Hillisch Alexander

  公开号：US20060009434A1

  公开（公告）日：2006-01-12

  The invention relates to new 2-substituted estra-1,3,5(10)-trien-17-ones of general formula I in which R 2 means a saturated or unsaturated C 1 -C 8 -alkyl group, a C 1 -C 5 -alkyloxy group, an aralkyl radical or alkylaryl radical, a radical —O—C n F m H o , whereby n=1, 2, 3, 4, 5 or 6, m≧1 and m+o=2n+1, or a group CH 2 XY, in which X stands for an oxygen atom and Y stands for an alkyl radical with 1 to 4 carbon atoms, as well as a halogen atom or a nitrile group, R 13 means a hydrogen atom or a methyl group, R 16 means a hydrogen atom or a fluorine atom, Z means an oxygen atom or a sulfur atom, R 3 and R 5 , in each case independently of one another, mean an α- or β-position hydrogen atom, R 4 and R 6 , in each case independently of one another, mean an α- or β-position hydrogen atom, a C 1 -C 5 -alkyl group, a C 1 -C 5 -alkyloxy group, a C 1 -C 5 -acyl group or a hydroxy group or an aralkyl radical or alkylaryl radical, R 3 and R 4 together mean an oxygen atom, R 5 and R 6 together mean an oxygen atom, R 7 and R 8 in each case mean a hydrogen atom or together a CH 2 group, as well as their pharmaceutically acceptable salts, their manufacture and use as medicaments for prophylaxis and therapy of estrogen-dependent diseases that can be influenced by the inhibition of 17β-hydroxy steroid dehydrogenase type 1.

  本发明涉及一般式I的新2-取代的酮类化合物，其中R2代表饱和或不饱和的C1-C8烷基基团，C1-C5烷氧基团，芳基烷基基团或烷基芳基基团，基团—O—CnFmHo，其中n=1、2、3、4、5或6，m≥1且m+o=2n+1，或基团CH2XY，其中X代表氧原子，Y代表具有1至4个碳原子的烷基基团，以及卤原子或腈基团，R13代表氢原子或甲基基团，R16代表氢原子或氟原子，Z代表氧原子或硫原子，R3和R5分别独立地表示α或β位的氢原子，R4和R6分别独立地表示α或β位的氢原子，C1-C5烷基基团，C1-C5烷氧基团，C1-C5酰基团，羟基或芳基烷基基团或烷基芳基基团，R3和R4一起表示氧原子，R5和R6一起表示氧原子，R7和R8分别表示氢原子或一起表示一个CH2基团，以及它们的药学上可接受的盐，它们的制备和用作预防和治疗由于17β-羟基类固醇脱氢酶类型1的抑制而可影响的雌激素依赖性疾病的药物。
• New 2-substituted D-homo-estra-1,3,5(10)-trienes as inhibitors of 17beta-hydroxy steroid dehydrogenase type 1
  申请人：Hillisch Alexander

  公开号：US20060052461A1

  公开（公告）日：2006-03-09

  The invention relates to new 2-substituted D-homo-estra-1,3,5(10)-trienes of general formula I in which R 2 means a C 1 -C 8 -alkyl group, a C 1 -C 8 -alkyloxy group or a halogen atom, R 13 means a hydrogen atom or a methyl group, R 17 means a hydrogen atom or a fluorine atom, as well as their pharmaceutically acceptable salts, their manufacture and use as medicaments for prophylaxis and therapy of estrogen-dependent diseases that can be influenced by inhibition of 17β-hydroxy steroid dehydro-genase type 1.

  本发明涉及通式 I 的新的 2-取代 D-高-雌甾-1,3,5(10)-三烯，其中 其中 R 2 是指一个 C 1 -C 8 -烷基、C 1 -C 8 -烷氧基或卤原子、 R 13 指氢原子或甲基 R 17 指氢原子或氟原子，以及它们的药学上可接受的盐类，它们的制造和使用可作为预防和治疗雌激素依赖性疾病的药物，这些疾病可受到 17β- 羟基类固醇脱氢酶 1 型的抑制作用的影响。
• NEW 2-SUBSTITUTED D-HOMO-ESTRA-1,3,5(10)-TRIENES AS INHIBITORS OF 17BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1
  申请人：Hillisch Alexander

  公开号：US20080306164A1

  公开（公告）日：2008-12-11

  The invention relates to new 2-substituted D-homo-estra-1,3,5(10)-trienes of general formula I in which R 2 means a C 1 -C 8 -alkyl group, a C 1 -C 8 -alkyloxy group or a halogen atom, R 13 means a hydrogen atom or a methyl group, R 17 means a hydrogen atom or a fluorine atom, as well as their pharmaceutically acceptable salts, their manufacture and use as medicaments for prophylaxis and therapy of estrogen-dependent diseases that can be influenced by inhibition of 17β-hydroxy steroid dehydro-genase type 1.
• US7419972B2
  申请人：——

  公开号：US7419972B2

  公开（公告）日：2008-09-02
• US7435757B2
  申请人：——

  公开号：US7435757B2

  公开（公告）日：2008-10-14