2-[(3-吡啶基羰基)氨基]乙基乙酸酯 | 88847-88-5

• 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: 2-[(3-吡啶基羰基)氨基]乙基乙酸酯
• 中文别名: 5-(3,4-二氯苯基)-6,8-二氧杂-3-氮杂二环[3.2.1]辛烷盐酸
• 英文名称: 4-chloro-17β-estradiol
• 英文别名: 4-chloroestradiol；(8R,9S,13S,14S,17S)-4-chloro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• CAS: 88847-88-5
• 化学式: C₁₈H₂₃ClO₂
• 分子量: 306.832
• InChiKey: QHGRSOANCKBFMK-ZHIYBZGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-[(3-吡啶基羰基)氨基]乙基乙酸酯 在 jones' reagent 作用下， 以 丙酮 为溶剂， 反应 0.33h， 以75%的产率得到4-chloroestrone
  参考文献：
  名称：

  Ali, Hasrat; Lier, Johan E. van, Journal of the Chemical Society. Perkin transactions I, 1991, # 10, p. 2485 - 2491

  摘要：

  DOI：
• 作为产物：
  描述：

  雌二醇 在 sodium tetrahydroborate 、 三氯异氰尿酸 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 2.5h， 生成 2-[(3-吡啶基羰基)氨基]乙基乙酸酯
  参考文献：
  名称：

  Mukawa, Fumikazu, Journal of the Chemical Society. Perkin transactions I, 1988, p. 457 - 460

  摘要：

  DOI：

文献信息

• SUBSTITUTED 16,17-ANNELLATED STERIOD COMPOUNDS FOR USE IN WOMENS HEALTHCARE
  申请人：Dijcks Fredericus Antonius

  公开号：US20100331292A1

  公开（公告）日：2010-12-30

  The present invention relates to substituted steroid compounds having the formula Wherein R 1 is H or halogen; R 2 is H, (1C-4C)alkyl, (1C-4C)acyl, glucuronyl or sulfamoyl; R 3 is H or halogen; R 4 is H, (1C-4C)alkyl, (2C-4C)alkenyl or (2C-4C)alkynyl; R 5 is methyl or ethyl; R 6 is H or methyl; R 7 is H or methyl; R 8 is H or acyl for use in the treatment and prevention of endometriosis, for contraception, for hormonal therapy in perimenopausal and post-menopausal women, for the treatment of osteoporosis and for the treatment uterine fibroids and other menstrual-related disorders, such as dysfunctional uterine bleeding.

  本发明涉及具有以下结构式的取代类固醇化合物 其中R 1 为H或卤素；R 2 为H，(1C-4C)烷基，(1C-4C)酰基，葡萄糖醛酰基或磺酰基；R 3 为H或卤素；R 4 为H，(1C-4C)烷基，(2C-4C)烯基或(2C-4C)炔基；R 5 为甲基或乙基；R 6 为H或甲基；R 7 为H或甲基；R 8 为H或酰基，用于治疗和预防子宫内膜异位症，避孕，围绝经期和绝经后妇女的激素疗法，治疗骨质疏松症以及治疗子宫肌瘤和其他与月经有关的疾病，如功能性子宫出血。
• [EN] SUBSTITUTED 16,17-ANNELLATED STEROID COMPOUNDS FOR USE IN WOMEN'S HEALTHCARE<br/>[FR] COMPOSÉS STÉROÏDES 16,17-ANNELÉS SUBSTITUÉS DESTINÉS À ÊTRE UTILISÉS POUR LA SANTÉ FÉMININE
  申请人：ORGANON NV

  公开号：WO2010142705A1

  公开（公告）日：2010-12-16

  The present invention relates to substituted steroid compounds having the formula (I) Wherein R1 is H or halogen; R2 is H, (1C-4C)alkyl, (1C-4C)acyl, glucuronyl or sulfamoyl; R3 is H or halogen; R4 is H, (1C-4C)alkyl, (2C-4C)alkenyl or (2C-4C)alkynyl; R5 is methyl or ethyl; R6 is H or methyl; R7 is H or methyl; R8 is H or acyl for use in the treatment and prevention of endometriosis, for contraception, for hormonal therapy in perimenopausal and post-menopausal women, for the treatment of osteoporosis and for the treatment uterine fibroids and other menstrual-related disorders, such as dysfunctional uterine bleeding.

  本发明涉及具有以下式（I）的取代类固醇化合物 其中R1为H或卤素；R2为H，（1C-4C）烷基，（1C-4C）酰基，葡萄糖醛酰基或磺酰基；R3为H或卤素；R4为H，（1C-4C）烷基，（2C-4C）烯基或（2C-4C）炔基；R5为甲基或乙基；R6为H或甲基；R7为H或甲基；R8为H或酰基，用于治疗和预防子宫内膜异位症，避孕，围绝经期和绝经后妇女的激素疗法，骨质疏松症的治疗以及子宫肌瘤和其他与月经有关的疾病，如功能性子宫出血。
• SUBSTITUTED 16,17-ANNELLATED STEROID COMPOUNDS FOR USE IN WOMENS HEALTH
  申请人：MSD B.V.

  公开号：US20130150337A1

  公开（公告）日：2013-06-13

  The present invention relates to substituted steroid compounds having the formula Wherein R 1 is H or halogen; R 2 is H, (1C-4C)alkyl, (1C-4C)acyl, glucuronyl or sulfamoyl; R 3 is H or halogen; R 4 is H, (1C-4C)alkyl, (2C-4C)alkenyl or (2C-4C)alkynyl; R 5 is methyl or ethyl; R 6 is H or methyl; R 7 is H or methyl; R 8 is H or acyl for use in the treatment and prevention of endometriosis, for contraception, for hormonal therapy in perimenopausal and post-menopausal women, for the treatment of osteoporosis and for the treatment uterine fibroids and other menstrual-related disorders, such as dysfunctional uterine bleeding.

  本发明涉及具有以下式的取代类固醇化合物： 其中R1为氢或卤素；R2为氢、(1C-4C)烷基、(1C-4C)酰基、葡萄糖酰基或磺酰基；R3为氢或卤素；R4为氢、(1C-4C)烷基、(2C-4C)烯基或(2C-4C)炔基；R5为甲基或乙基；R6为氢或甲基；R7为氢或甲基；R8为氢或酰基，用于治疗和预防子宫内膜异位症、避孕、更年期和绝经后妇女的激素疗法、治疗骨质疏松症以及治疗子宫肌瘤和其他与月经有关的疾病，如功能性子宫出血。
• Pharmaceutical preparations, use of these preparations and process for increasing the biovailability of pharmaceutical substances to be administered perorally
  申请人：——

  公开号：US20040223983A1

  公开（公告）日：2004-11-11

  The invention relates to pharmaceutical preparations that contain at least one emulsifier, at least one auxiliary emulsifier and/or solvent as well as at least one lipid, characterized in that the mass ratio of emulsifier to auxiliary emulsifier and/or solvent (Smix) is 1:1 to 9:1 and the total lipid proportion is >0% (m/m), whereby this preparation at least partially inhibits at least one intestinal enzyme and/or at least one intestinal efflux system. These preparations can be used to increase the bioavailability of pharmaceutical substances that are lipophilic and/or substrates of intestinal metabolizing enzymes and/or intestinal efflux systems, especially steroids.

  本发明涉及含有至少一种乳化剂、至少一种辅助乳化剂和/或溶剂以及至少一种脂质的药物制剂，其特征在于乳化剂与辅助乳化剂和/或溶剂（Smix）的质量比为1:1至9:1，总脂质比例大于0%（m/m），从而该制剂至少部分抑制至少一种肠道酶和/或至少一种肠道外流系统。这些制剂可用于提高亲脂性和/或肠道代谢酶和/或肠道外排系统底物的药物物质（尤其是类固醇）的生物利用度。
• Effect of 11β-substituents on the regioselective chlorination of estrogens with 2,3,4,5,6,6-hexachloro-2,4-cyclohexadienone
  作者：Hasrat Ali、Johan E. van Lier

  DOI：10.1016/0039-128x(94)90065-5

  日期：1994.8

  The reaction of 11 beta-substituted estrogens with 2,3,4,5,6,6-hexachloro-2,4-cyclohexadienone affords exclusively ortho-substituted monochlorinated products including a major 4-chloro and a minor 2-chloro derivative. In the absence of an 11 beta-substituent, regioselectivity is lost, resulting in a mixture of 10 beta- and ortho-chlorinated products.