11-iodoundecanoic acid butylmethylamide | 199529-05-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 11-iodoundecanoic acid butylmethylamide
• 英文别名: 11-iodo-undecanoic acid n-butyl-methyl-amide；Undecanamide, N-butyl-11-iodo-N-methyl-；N-butyl-11-iodo-N-methylundecanamide
• CAS: 199529-05-0
• 化学式: C₁₆H₃₂INO
• 分子量: 381.341
• InChiKey: QZVIPIUGPGKDDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  19
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  11-iodoundecanoic acid butylmethylamide 在 三乙基硅烷 、 aluminum tri-bromide 、 三氟化硼乙醚 、 potassium tert-butylate 、 乙硫醇 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 11-(3,17β-dihydroxy-estra-1,3,5(10)-triene-7α-yl)-undecanoic acid n-butyl-methyl-amide
  参考文献：
  名称：

  AN EXPEDITIOUS ROUTE TO 7α-SUBSTITUTED ESTRADIOL DERIVATIVES

  摘要：

  6-Ketoestradiol derivatives are converted in 7 alpha-alkyl substituted estradiol derivatives selectively by alkylation of the generated enolate followed by deoxygenation-deprotection with BF3 . Et2O/Et3SiH. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10180-0
• 作为产物：
  描述：

  甲基丁胺 在 N,N'-二环己基碳二亚胺 、 sodium iodide 作用下， 以 氯仿 、 丙酮 为溶剂， 生成 11-iodoundecanoic acid butylmethylamide
  参考文献：
  名称：

  AN EXPEDITIOUS ROUTE TO 7α-SUBSTITUTED ESTRADIOL DERIVATIVES

  摘要：

  6-Ketoestradiol derivatives are converted in 7 alpha-alkyl substituted estradiol derivatives selectively by alkylation of the generated enolate followed by deoxygenation-deprotection with BF3 . Et2O/Et3SiH. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)10180-0

文献信息

• A Dehydrohalogenation Methodology for Synthesizing Terminal Olefins under Mild Conditions
  作者：Donald Poirier、Marie Bérubé、Fatima Kamal、Jenny Roy

  DOI：10.1055/s-2006-950204

  日期：——

  A new methodology for preparing terminal olefins in good yield by dehydrohalogenation of primary alkyl iodide with tetrabutylammonium fluoride in dimethyl sulfoxide at room temperature is presented. Optimization of the mild reaction conditions and assays on various alkyl iodides are described.

  提出了一种在室温下使用四丁基氟化铵在二甲基亚砜中通过脱卤化氢反应制备高产率末端烯烃的新方法，该方法涉及初级烷基碘化物。描述了温和反应条件的优化以及对各种烷基碘化物的试验。
• Steroids for cancer treatment
  申请人：Pettersson Lars

  公开号：US20070142345A1

  公开（公告）日：2007-06-21

  The present invention relates to novel compounds which are 7α-substituted 17-alkylene-16α-hydroxy steroidal estrogens. This invention specifically relates to estrogen derivatives which contain 7α-substituents and which exhibit anti-estrogenic properties. The present invention also relates to use of said compounds as a medicament, and for the treatment of estrogen dependent disorders, a pharmaceutical composition comprising one or more of said compounds and a method of treatment.

  本发明涉及一种新型化合物，即7α-取代的17-烷基-16α-羟基类固醇雌激素酯化物。本发明特别涉及含有7α-取代基的雌激素衍生物，其具有抗雌激素性能。本发明还涉及上述化合物作为药物的用途，用于治疗雌激素依赖性疾病，包括含有一种或多种上述化合物的制药组合物和治疗方法。
• [EN] 17-METHYLENE-OR 17 - SPIRO - CYCLOPROPANE 7 - SUBSTITUTED ESTRA - 1, 3, 5 (10) - TRIENE DERIVATIVES WITH ANTI - ESTROGENIC ACTIVITY<br/>[FR] STEROIDES DESTINES AU TRAITEMENT DU CANCER
  申请人：INNOVENTUS PROJECT AB

  公开号：WO2005077968A3

  公开（公告）日：2006-08-31
• 17-METHYLENE- OR 17-SPIRO-CYCLOPROPANE 7-SUBSTITUTED ESTRA-1,3,5(10)-TRIENE DERIVATIVES WITH ANTI-ESTROGENIC ACTIVITY
  申请人：Innoventus Project AB

  公开号：EP1716166A2

  公开（公告）日：2006-11-02
• [EN] STEROIDS FOR CANCER TREATMENT<br/>[FR] STEROIDES DESTINES AU TRAITEMENT DU CANCER
  申请人：INNOVENTUS PROJECT AB

  公开号：WO2005077968A2

  公开（公告）日：2005-08-25

  The present invention relates to novel compounds which are 7alpha-substituted 17-alkylene-16 alpha-hydroxy steroidal estrogens (see formula I). This invention specifically relates to estrogen derivatives which contain 7 alpha -substituents and which exhibit anti-estrogenic properties. The present invention also relates to use of said compounds as a medicament, and for the treatment of estrogen dependent disorders, a pharmaceutical composition comprising one or more of said compounds and a method of treatment.