3-allyloxy-16α,17β-dihydroxy-1,3,5(10)-estratriene | 10448-94-9

• 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: 3-allyloxy-16α,17β-dihydroxy-1,3,5(10)-estratriene
• 英文别名: 3-(Allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol；(8R,9S,13S,14S,16R,17R)-13-methyl-3-prop-2-enoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
• CAS: 10448-94-9
• 化学式: C₂₁H₂₈O₃
• 分子量: 328.452
• InChiKey: GVKVGOGUDSJCLX-YQPXSLGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  雌三醇 、 3-氯丙烯 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 3-allyloxy-16α,17β-dihydroxy-1,3,5(10)-estratriene
  参考文献：
  名称：

  雌激素醚离子的重排和碎裂：傅立叶变换离子回旋共振质谱发现的新方面

  摘要：

  已通过高分辨率质谱法研究了几种二羟基和三羟基雌三烯醚以及雌二醇和雌三醇的电喷雾电离质谱。通过使用保护基团以及质谱方法，如碰撞诱导解离和红外多光子解离，导致水分子从质子化分子离子中丢失的碎裂机制已经合理化。从质子化雌二醇醚中同时损失两个水分子和从质子化雌三醇醚中同时损失三个水分子的意外观察已经就不同的反应机制和重排进行了讨论。由它们得出的结果和结论是通过足够的氘化醚获得的。

  DOI：

  10.1255/ejms.1071

文献信息

• Pharmaceutical formulations for the treatment and prevention of trauma-induced neuropathology and neurodegeneration
  申请人：Sapna Life Sciences Corporation

  公开号：US10201569B2

  公开（公告）日：2019-02-12

  Novel multi-component formulations, procedures and methods for use in treating neuropathology and neurodegeneration incident to trauma are provided. Multi-component formulations of the invention comprise biologically active forms of any two, any three, or all four of at least one neurosteroid or neuroactive steroid, such as progesterone or synthetic progestin, at least one anti-epileptic or anticonvulsant, such as gabapentin, pregabalin or valproic acid, at least one NK-1 receptor antagonist, such as aprepitant, casopitant or vestipitant, at least one lithium-containing or lithium-related drug. The provided formulations are configured or adapted to prevent or reduce the incidence and severity of neurological damage caused by trauma, or the risk of such damage. Formulations, procedures and methods of the invention advantageously effect both neuroprotective actions to prevent or reduce secondary injuries, and neurotrophic actions to repair and restore cells and tissues affected by the trauma, and are especially useful in treating injury or trauma to nerve cells, to neural support cells and to neural support tissues.

  本发明提供了用于治疗创伤引起的神经病理学和神经变性的新型多组分制剂、程序和方法。本发明的多组分制剂包括至少一种神经类固醇或神经活性类固醇（如黄体酮或合成孕激素）、至少一种抗癫痫药或抗惊厥药（如加巴喷丁、普瑞巴林或丙戊酸）、至少一种NK-1受体拮抗剂（如阿普瑞坦、卡索匹坦或马替匹坦）、至少一种含锂药物或与锂相关的药物的任意两种、任意三种或全部四种的生物活性形式。所提供的制剂经配置或调整后可预防或降低创伤引起的神经损伤的发生率和严重程度，或降低这种损伤的风险。本发明的制剂、程序和方法既能起到预防或减少二次损伤的神经保护作用，又能起到修复和恢复受创伤影响的细胞和组织的神经营养作用，特别适用于治疗神经细胞、神经支持细胞和神经支持组织的损伤或创伤。
• MULTIPLE-COMPONENT PHARMACEUTICAL FORMULATIONS AND METHODS FOR THEIR USE IN TREATING NEUROPATHOLOGY AND NEURODEGENERATION CAUSED BY TRAUMATIC INJURY
  申请人：HENRY James Lorne

  公开号：US20140194397A1

  公开（公告）日：2014-07-10

  Novel two-component formulations, procedures and methods for use in treating neuropathology and neurodegeneration incident to trauma are provided. Two-component formulations of the invention comprise biologically active forms of at least one neurosteroid or neuroactive steroid, such as progesterone or synthetic progestin, and at least one anti-epileptic or anticonvulsant, such as pregabalin. The provided formulations are configured or adapted to prevent or reduce the incidence and severity of neurological damage caused by trauma. Formulations, procedures and methods of the invention advantageously effect both neuroprotective actions to prevent or reduce secondary injuries, and neurotrophic actions to repair and restore cells and tissues affected by the trauma, and are especially useful in treating neurological trauma, such as those caused by sports injuries, chemical weapons, vehicle collisions and improvised explosive devices in combat.
• PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF TRAUMA-INDUCED NEUROPATHOLOGY AND NEURODEGENERATION
  申请人：HENRY James Lorne

  公开号：US20140193523A1

  公开（公告）日：2014-07-10

  Novel multi-component formulations, procedures and methods for use in treating neuropathology and neurodegeneration incident to trauma are provided. Multi-component formulations of the invention comprise biologically active forms of any two, any three, or all four of at least one neurosteroid or neuroactive steroid, such as progesterone or synthetic progestin, at least one anti-epileptic or anticonvulsant, such as gabapentin, pregabalin or valproic acid, at least one NK-1 receptor antagonist, such as aprepitant, casopitant or vestipitant, at least one lithium-containing or lithium-related drug. The provided formulations are configured or adapted to prevent or reduce the incidence and severity of neurological damage caused by trauma, or the risk of such damage. Formulations, procedures and methods of the invention advantageously effect both neuroprotective actions to prevent or reduce secondary injuries, and neurotrophic actions to repair and restore cells and tissues affected by the trauma, and are especially useful in treating injury or trauma to nerve cells, to neural support cells and to neural support tissues.
• TWO-COMPONENT FORMULATIONS, METHODS AND PROCEDURES TO PREVENT OR REDUCE TRAUMA-INDUCED NEUROPATHOLOGY AND NEURODEGENERATION
  申请人：Henry James Lorne

  公开号：US20140194394A1

  公开（公告）日：2014-07-10

  Novel two-component formulations, procedures and methods for use in treating neuropathology incident to trauma are provided. Two-component formulations of the invention comprise biologically active forms of at least one neurosteroid or neuroactive steroid, such as progesterone or synthetic progestin, and at least one anti-epileptic or anticonvulsant, such as gabapentin. The provided formulations are configured or adapted to prevent or reduce the incidence and severity of neurological damage caused by trauma. Formulations, procedures and methods of the invention advantageously effect both neuroprotective actions to prevent or reduce secondary injuries, and neurotrophic actions to repair and restore cells and tissues affected by the trauma, and are especially useful in treating neurological trauma, such as those caused by sports injuries, chemical weapons, vehicle collisions and improvised explosive devices in combat.
• [EN] FORMULATIONS AND METHODS FOR THEIR USE IN TREATMENT OF NEUROPATHOLOGY AND NEURODEGENERATION AS A RESULT OF TRAUMATIC INJURY<br/>[FR] FORMULATIONS ET PROCÉDÉS DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT D'UNE NEUROPATHOLOGIE ET D'UNE NEURODÉGÉNÉRESCENCE EN RÉSULTAT D'UNE LÉSION TRAUMATIQUE
  申请人：SAPNA LIFE SCIENCES CORP

  公开号：WO2014107794A1

  公开（公告）日：2014-07-17

  The presently disclosed invention and particular invention embodiments relate to formulations, methods, procedures, and combinations thereof for treating numerous types of trauma-induced and other neurological disorders and injuries, such as but not exclusive to brain injury, central nervous system ischemia, spinal cord injury, enteric nervous system injury and peripheral nerve injury. The formulations of the present invention comprising two, three or four biologically active compounds selected from A. at least one biologically active compound selected from anticonvulsants and antiepileptics; B. at least one biologically active compound selected from neurosteroids and neuroactive steroids; C. at least one biologically active compound selected from NK-1 receptor antagonists; and D. at least one biologically active compound selected from lithium containing and lithium-related compounds.