(3β,5α,20S)-4,4,20-trimethylpregna-8,14-diene-3,21-diol 3-benzoate | 216446-51-4

• 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: (3β,5α,20S)-4,4,20-trimethylpregna-8,14-diene-3,21-diol 3-benzoate
• 英文别名: (20S)-3β-benzoyloxy-4,4,20-trimethyl-pregna-8,14-dien-21-ol；(3beta,5alpha,20S)-4,4,20-trimethylpregna-8,14-diene-3,21-diol 3-benzoate；[(3S,5R,10S,13R,17R)-17-[(2S)-1-hydroxypropan-2-yl]-4,4,10,13-tetramethyl-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
• CAS: 216446-51-4
• 化学式: C₃₁H₄₂O₃
• 分子量: 462.673
• InChiKey: YFYTWNOHDQIVKG-SNSGWHPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3β,5α,20S)-4,4,20-trimethylpregna-8,14-diene-3,21-diol 3-benzoate 在 吡啶 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 生成 (3β,5α,20S)-3-(benzoyloxy)-4,4-dimethylpregna-8,14-diene-20-carboxaldehyde
  参考文献：
  名称：

  [EN] THIOMORPHOLINO STEROID COMPOUNDS, THE USE THEREOF FOR THE PREPARATION OF MEIOSIS-REGULATING MEDICAMENTS AND METHOD FOR THE PREPARATION THEREOF
  [FR] COMPOSES THIOMORPHOLINO STEROIDES, LEUR UTILISATION POUR LA PREPARATION DE MEDICAMENTS REGULANT LA MEIOSE ET PROCEDE DE PREPARATION ASSOCIE

  摘要：

  本发明涉及通式(I)的硫代吗啡诺类固醇化合物，其可优选地用于刺激人卵母细胞的减数分裂，该类固醇具有通过烷基间隔连接到类固醇骨架的C17的硫代吗啡诺基团的特征。

  公开号：

  WO2005014613A1
• 作为产物：
  描述：

  (20S)-4,4-dimethyl-20-[((triisopropylsilyl)oxy)methyl]-pregna-5,7-dien-3β-ol benzoate 在 盐酸 、 水 作用下， 以 乙醇 、 苯 为溶剂， 反应 5.0h， 以70%的产率得到(3β,5α,20S)-4,4,20-trimethylpregna-8,14-diene-3,21-diol 3-benzoate
  参考文献：
  名称：

  [EN] THIOMORPHOLINO STEROID COMPOUNDS, THE USE THEREOF FOR THE PREPARATION OF MEIOSIS-REGULATING MEDICAMENTS AND METHOD FOR THE PREPARATION THEREOF
  [FR] COMPOSES THIOMORPHOLINO STEROIDES, LEUR UTILISATION POUR LA PREPARATION DE MEDICAMENTS REGULANT LA MEIOSE ET PROCEDE DE PREPARATION ASSOCIE

  摘要：

  本发明涉及通式(I)的硫代吗啡诺类固醇化合物，其可优选地用于刺激人卵母细胞的减数分裂，该类固醇具有通过烷基间隔连接到类固醇骨架的C17的硫代吗啡诺基团的特征。

  公开号：

  WO2005014613A1

文献信息

• 20-aralkyl-5&agr;-pregnane derivatives
  申请人：Akzo Nobel N.V.

  公开号：US06177420B1

  公开（公告）日：2001-01-23

  The invention relates to 20-aralkyl-5&agr;-pregnane derivative having general formula (I), or a pharmaceutically acceptable salt thereof, wherein R1 is (H,OR), (H,OSO3H) or NOR; R is H, (C1-6)alkyl or (C1-6)acyl; each of R2 and R3 is independently hydrogen or (C1-6)alkyl; X is a straight chain divalent C1-8 hydrocarbon radical, optionally comprising a double or a triple bond; or X is —(CH2)m—CR7R8—; m=0-4; at least one of R7 and R8 is (C1-4)alkyl, hydroxy, (C1-4)alkoxy or halogen; the other, if present, being hydrogen; or R7 and R8 together represent O or NOR′; R′ is H, (C1-6)alkyl or (C1-6)acyl; each of R4, R5 and R6 is independently hydrogen, hydroxy, (C1-4)alkoxy, halogen, NR9, R10 or (C1-4)alkyl, optionally substituted by hydroxy, alkoxy, halogen or oxo; each of R9 and R10 is independently hydrogen or (C1-4)alkyl; and the dotted lines indicate a &Dgr;7 or a &Dgr;8 double bond, or a pair of conjugated double bonds selected from &Dgr;7,14, &Dgr;8,14 and &Dgr;6,8(14). The compounds of the invention have meiosis activating activity and can be used for the control of fertility.

  该发明涉及具有通式(I)的20-芳基-5α-孕烷衍生物，或其药学上可接受的盐，其中R1为(H,OR)、(H,OSO3H)或NOR；R为H、(C1-6)烷基或(C1-6)酰基；R2和R3中的每一个独立地为氢或(C1-6)烷基；X为直链二价的C1-8碳氢基团，可选地包括双键或三键；或X为—(CH2)m—CR7R8—；m=0-4；R7和R8中的至少一个为(C1-4)烷基、羟基、(C1-4)烷氧基或卤素；另一个，如果存在的话，为氢；或R7和R8一起代表O或NOR′；R′为H、(C1-6)烷基或(C1-6)酰基；R4、R5和R6中的每一个独立地为氢、羟基、(C1-4)烷氧基、卤素、NR9、R10或(C1-4)烷基，可选地被羟基、烷氧基、卤素或氧代取代；R9和R10中的每一个独立地为氢或(C1-4)烷基；虚线表示&Dgr;7或&Dgr;8双键，或从&Dgr;7,14、&Dgr;8,14和&Dgr;6,8(14)中选择的一对共轭双键。该发明的化合物具有激活减数分裂活性，可用于控制生育能力。
• Thiomorpholino steroid compounds, the use thereof for the preparation of meiosis-regulating medicaments and method for the preparation thereof
  申请人：Blume Thorsten

  公开号：US20070078262A1

  公开（公告）日：2007-04-05

  The present invention relates to thiomorpholino steroid compounds of general formula I, which may advantageously be employed to stimulate meiosis in human oocytes, the steroid being specifically characterized by a thiomorpholino moiety bonded to C 17 of the steroid skeleton via an alkylen spacer.

  本发明涉及到一般式I的硫代吗啡基类固醇化合物，可以优势地用于刺激人类卵母细胞的减数分裂，该类固醇特别的特征是通过烷基间隔将硫代吗啡基与类固醇骨架的C17键合。
• 22s-hydroxycholesta-8, 14-diene derivatives with meiosis regulating activity
  申请人：Akzo Nobel N.V.

  公开号：US06528501B1

  公开（公告）日：2003-03-04

  The invention relates to 22S hydroxycholesta-8, 14-diene derivatives having general formula (I) wherein R1 is OR, OSO3H or —NOR; with R being H, (C1-6)alkyl or (C1-6)acyl; each of R2 and R3 is independently hydrogen or (C1-6)alkyl; R4 is hydrogen, (C1-6)alkyl or (C1-6)acyl; R5 is hydrogen; or R5 designates, together with R6, an additional bond between the carbon atoms at which R5 and R6 are placed; R6 is hydrogen, hydroxy or halogen, or R6 designates, together with R5, an additional bond between the carbon atoms at which R6 and R5 are placed; each or R7 and R8 is independently hydrogen or (C1-4)alkyl, optionally substituted with OH, (C1-4)alkoxy, or halogen; or a pharmaceutically acceptable salt thereof. The compounds of the invention have meiosis activating activity and can be used for the control of fertility.

  本发明涉及具有通式（I）的22S羟基胆甾-8，14-二烯衍生物，其中R1为OR，OSO3H或—NOR；其中R为H，（C1-6）烷基或（C1-6）酰基；R2和R3各自独立地为氢或（C1-6）烷基；R4为氢，（C1-6）烷基或（C1-6）酰基；R5为氢；或R5与R6一起表示在R5和R6所处的碳原子之间的额外键；R6为氢，羟基或卤素，或R6与R5一起表示在R6和R5所处的碳原子之间的额外键；R7和R8各自独立地为氢或（C1-4）烷基，可以选择性地被OH，（C1-4）烷氧基或卤素取代；或其药学上可接受的盐。本发明的化合物具有减数分裂激活活性，可用于控制生育能力。
• 20-ARALKYL-5$g(a)-PREGNANE DERIVATIVES
  申请人：Akzo Nobel N.V.

  公开号：EP0984980A1

  公开（公告）日：2000-03-15
• 17$g(b)-ALLYLOXY(THIO)ALKYL-ANDROSTANE DERIVATIVES FOR THE MODULATION OF MEIOSIS
  申请人：Akzo Nobel N.V.

  公开号：EP0988312A1

  公开（公告）日：2000-03-29