1,3-Dihydroxy-Δ^1,3,5(10)-oestratrienon-(17) | 60966-54-3

• 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: 1,3-Dihydroxy-Δ^1,3,5(10)-oestratrienon-(17)
• 英文别名: 1-Hydroxy-oestron；1,3-Dihydroxy-oestratrien-1,3,5(10)-on-17；1,3-dihydroxy-estra-1,3,5(10)-trien-17-one；1,3-Dihydroxy-oestra-1,3,5(10)-trien-17-on；1,3-Dihydroxyestra-1,3,5(10)-trien-17-one；(8R,9S,13S,14S)-1,3-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
• CAS: 60966-54-3
• 化学式: C₁₈H₂₂O₃
• 分子量: 286.371
• InChiKey: FDTPYROSMUKXFK-COJSNBRMSA-N

物化性质

• 熔点：
  248-251 °C
• 沸点：
  490.2±44.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-Dihydroxy-Δ^1,3,5(10)-oestratrienon-(17) 在 potassium nitrososulfonate 作用下， 生成 3-hydroxy-estra-2,5(10)-diene-1,4,17-trione
  参考文献：
  名称：

  Synthesis and Reactions of Steroidal Quinols¹

  摘要：

  DOI：

  10.1021/ja01554a026
• 作为产物：
  描述：

  19-羟基雄甾-4-烯-3,17-二酮 生成 1,3-Dihydroxy-Δ^1,3,5(10)-oestratrienon-(17)
  参考文献：
  名称：

  Irmscher,K., Justus Liebigs Annalen der Chemie, 1966, vol. 695, p. 158 - 163

  摘要：

  DOI：

文献信息

• BENZOCYCLOHEPTENE DERIVATIVES AS ESTROGENS HAVING SELECTIVE ACTIVITY
  申请人：WYRWA Ralf

  公开号：US20090099250A1

  公开（公告）日：2009-04-16

  The present invention describes non-steroidal compounds of the general formula (I) in which A is in which X 1 means one or more groups on the phenyl ring and represents independently of one another a halogen, OH, (C 1 -C 4 )alkyl, (C 1 -C 4 )alkyl-O, (C 3 -C 6 )cycloalkyl-O, (C 1 -C 14 )acyl-O, (C 1 -C 4 )alkenyl, (C 1 -C 4 )alkynyl, perfluoro(C 1 -C 4 )alkyl radical, —CHO or CN, and X 2 means one or more groups on the phenyl ring and represents independently of one another an H, halogen, OH, (C 1 -C 4 )alkyl, (C 1 -C 4 )alkyl-O, (C 1 -C 4 )alkenyl, (C 1 -C 4 )alkynyl, perfluoro-(C 1 -C 4 )alkyl radical, —CHO or CN, as Estrogens.

  该发明描述了一般式(I)的非类固醇化合物，其中A是其中X1表示苯环上的一个或多个基团，分别独立地表示卤素、OH、(C1-C4)烷基、(C1-C4)烷基-O、(C3-C6)环烷基-O、(C1-C14)酰基-O、(C1-C4)烯基、(C1-C4)炔基、全氟(C1-C4)烷基基团、—CHO或CN；X2表示苯环上的一个或多个基团，分别独立地表示H、卤素、OH、(C1-C4)烷基、(C1-C4)烷基-O、(C1-C4)烯基、(C1-C4)炔基、全氟-(C1-C4)烷基基团、—CHO或CN，作为雌激素。
• Method and materials for detecting pathology from alterations in estrogen metabolism
  申请人：THE ROCKEFELLER UNIVERSITY

  公开号：EP0409176A2

  公开（公告）日：1991-01-23

  A method and associated materials for detecting pathology by determining alterations in estrogen metabolism in mammals are disclosed which comprise isolating at least two distinct metabolites of estrone from a biological sample taken from the mammal under examination, determining the quantity of each of the said metabolites in the sample, correlating the quantities of each of said metabolites with each other to arrive at a quotient of said metabolites, and comparing said quotient with an extrinsic quotient derived either previously from the mammal under test, as by the previous performance of the within test, or from the testing of other subjects of the same species, to determine any alterations in said estrogen metabolism from which such pathology, or pathologies, may be detected. The present method contemplates the investigation and use of products of enzymatic hydroxylation of estrone, enzymatic reduction of estrone, enzymatic oxidation of estrone, and enzymatic methylation of estrone. Methods of measurement of estrogen metabolites and related test kits are also disclosed.

  本发明公开了一种通过确定哺乳动物体内雌激素代谢的变化来检测病变的方法及相关材料，包括从被检哺乳动物的生物样本中分离出至少两种不同的雌酮代谢物，确定样本中每种代谢物的数量、将上述每种代谢物的数量相互关联，以得出上述代谢物的商数，并将上述商数与先前从受检哺乳动物（如先前进行的体内试验）或从同一物种的其他受试者的试验中得出的外在商数进行比较，以确定上述雌激素代谢中的任何改变，并从中检测出此类病理学或病理学。本方法考虑研究和使用雌酮的酶羟化产物、雌酮的酶还原产物、雌酮的酶氧化产物和雌酮的酶甲基化产物。此外，还公开了雌激素代谢物的测量方法和相关检测试剂盒。
• REMEDY FOR HORMONE-DEPENDENT CANCER
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1568381A1

  公开（公告）日：2005-08-31

  A therapeutic agent for a hormone-dependent cancer, which comprises (a) a steroid-sulfatase inhibitor and (b) an agent for hormone therapy and/or an agent for chemotherapy, which may be administered together or separately at an interval, is provided. A method for treating a hormone-dependent cancer, which comprises administering (a) a steroid-sulfatase inhibitor and (b) an agent for hormone therapy and/or an agent for chemotherapy together or separately at an interval, is also provided. A steroid-sulfatase inhibitor which is used in combination with an agent for hormone therapy and/or an agent for chemotherapy, and which is administered together therewith or separately therefrom at an interval, is also provided. A kit for treating a hormone-dependent cancer, which comprises a first component comprising (a) a steroid-sulfatase inhibitor and a second component comprising (b) an agent for hormone therapy and/or an agent for chemotherapy, is also provided. A pharmaceutical composition, which comprises (a) a steroid-sulfatase inhibitor and (b) an agent for hormone therapy and/or an agent for chemotherapy, is also provided. Further, use of (a) a steroid-sulfatase inhibitor and (b) an agent for hormone therapy and/or an agent for chemotherapy for the manufacture of a therapeutic agent for a hormone-dependent cancer is provided.

  本发明提供了一种激素依赖性癌症的治疗剂，它包括(a)类固醇硫酸酯酶抑制剂和(b)激素治疗剂和/或化疗剂，这两种药物可以一起给药，也可以间隔一段时间分别给药。还提供了一种治疗激素依赖性癌症的方法，该方法包括(a)类固醇-硫酸酯酶抑制剂和(b)激素治疗制剂和/或化疗制剂，它们可以一起给药，也可以间隔一段时间分别给药。还提供了一种类固醇硫酸酯酶抑制剂，该抑制剂与激素治疗剂和/或化疗剂联合使用，并在一定间隔时间内一起或分开给药。还提供了一种用于治疗激素依赖性癌症的试剂盒，它包括由(a)类固醇硫酸酯酶抑制剂组成的第一组分和由(b)激素治疗剂和/或化疗剂组成的第二组分。还提供了一种药物组合物，它包含(a)类固醇硫酸酯酶抑制剂和(b)激素治疗剂和/或化疗剂。此外，还提供了使用(a)类固醇硫酸酯酶抑制剂和(b)激素治疗剂和/或化疗剂制造激素依赖性癌症治疗剂的方法。
• METHOD FOR MANUFACTURING VAGINAL DRUG DELIVERY SYSTEMS USING A THREE DIMENSIONAL PRINTER
  申请人：Delim Cosmetics & Pharma S.r.l.

  公开号：EP3501543A1

  公开（公告）日：2019-06-26

  The present invention relates to a method for manufacturing a controlled release vaginal ring using a three-dimensional (3D) printer, said vaginal ring comprising: a) a core, said core consisting of a composition comprising one or more thermoplastic polyurethanes and one or more active pharmaceutical ingredients dissolved or dispersed in said core, b) a membrane, substantially or completely surrounding said core, said membrane consisting of a composition comprising one or more thermoplastic polyurethanes.

  本发明涉及一种使用三维（3D）打印机制造控释阴道环的方法，所述阴道环包括 a) 核心，所述核心由一种或多种热塑性聚氨酯组成，以及一种或多种溶解或分散在所述核心中的活性药物成分、 b) 基本或完全围绕所述核心的膜，所述膜由一种或多种热塑性聚氨酯组成。
• Controlled release composition
  申请人：Xu Jianjian

  公开号：US10335370B2

  公开（公告）日：2019-07-02

  The present disclosure provides a controlled release composition comprising a plurality of microparticles and a matrix, wherein: the plurality of microparticles comprises a first material; the matrix comprises a second material; and the melting temperature of the first material is higher than the melting temperature of the second material. Also provided are methods of making and using the same.

  本公开提供了一种控释组合物，包括多个微颗粒和基质，其中：多个微颗粒包括第一种材料；基质包括第二种材料；第一种材料的熔化温度高于第二种材料的熔化温度。此外，还提供了制作和使用上述材料的方法。