3-Acetoxy-estra-1,3,5(10)-trien-17-on | 901-93-9

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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-Acetoxy-estra-1,3,5(10)-trien-17-on
• 英文别名: Hogival; Oestrone-3-acetate; Puboestrene；[(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 901-93-9
• 化学式: C₂₀H₂₄O₃
• 分子量: 312.409
• InChiKey: KDPQTPZDVJHMET-MPTUAUJUSA-N

物化性质

• 熔点：
  125-127°
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Acetoxy-estra-1,3,5(10)-trien-17-on 在 氢溴酸 、 溴 、 potassium carbonate 作用下， 生成 16-Oxo-oestradiol-(17β)
  参考文献：
  名称：

  Preparation of 16-substituted 3-hydroxyestra-1,3,5(10)-triene-17-ones starting with the bromination of estrone acetate

  摘要：

  DOI：

  10.1007/bf00575701
• 作为产物：
  描述：

  estrone 、 乙酸酐 在 吡啶 作用下， 反应 2.0h， 以96%的产率得到3-Acetoxy-estra-1,3,5(10)-trien-17-on
  参考文献：
  名称：

  Efficient regioselective a-ring functionalization of oestrogens

  摘要：

  DOI：

  10.1016/s0040-4020(01)89772-6

文献信息

• Estra-1,3,5(10), 16-tetraene derivatives
  申请人：——

  公开号：US20020058651A1

  公开（公告）日：2002-05-16

  Estra-1,3,5(10),16-tetraene derivatives represented by the following formula (I): 1 (wherein R 1 represents hydroxy, alkoxy, or NR 2 R (wherein R 2 and R 3 are the same or different, and each represents hydrogen, straight-chain lower alkyl having 1 to 3 carbon atoms, or branched-chain lower alkyl having 3 to 8 carbon atoms)), or pharmaceutically acceptable salts thereof.

  以下是Estra-1,3,5(10),16-tetraene衍生物的化学式（I）： 其中，R1代表羟基、烷氧基或NR2R（其中R2和R3相同或不同，且每个代表氢、1至3个碳原子的直链低碳基或3至8个碳原子的支链低碳基），或其药学上可接受的盐。
• Process for producing vinyl perfluoroalkanesulfonate derivative
  申请人：Kato Sachiko

  公开号：US20050209477A1

  公开（公告）日：2005-09-22

  (wherein R 1 , R 2 , R 3 , R 4 and R 5 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkoxy, or the like; R 17 represents trifluoromethyl or the like; R 18 , R 19 , R 20 , R 21 and R 22 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like). An easy and simple process for producing a vinyl perfluoroalkanesulfonate derivative represented by general formula (IV) which is a useful intermediate in synthesis of medicines, natural products, or the like, at a low cost, is provided. The process is characterized by, for example, reacting a carbonyl compound represented by general formula (I) described above with a perfluoroalkanesulfonic anhydride represented by general formula (II) described above in the presence of a pyridine derivative represented by general formula (III) described above in an amount of 0.1 to 1.0 equivalent to the perfluoroalkanesulfonic anhydride.

  提供了一种简单易行的方法来低成本生产一种通式（IV）表示的乙烯基全氟烷磺酸酯衍生物，该衍生物是合成药物、天然产物等的有用中间体。该方法的特点是，例如，在上述通式（I）所表示的羰基化合物与上述通式（II）所表示的全氟烷磺酸酐在上述通式（III）所表示的吡啶衍生物的存在下反应，所述吡啶衍生物的用量为全氟烷磺酸酐的0.1到1.0当量。其中R1，R2，R3，R4和R5可以相同或不同，每个代表氢原子，取代或未取代的低级烷基，取代或未取代的低级氧烷基等；R17代表三氟甲基或类似物；R18，R19，R20，R21和R22可以相同或不同，每个代表氢原子，取代或未取代的低级烷基或类似物。
• Estra-1,3,5(10),16-tetraene derivatives
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US06262043B1

  公开（公告）日：2001-07-17

  Estra-1,3,5(10),16-tetraene derivatives represented by the following formula (I): (wherein R1 represents hydroxy, alkoxy, or NR2R3 (wherein R2 and R3 are the same or different, and each represents hydrogen, straight-chain lower alkyl having 1 to 3 carbon atoms, or branched-chain lower alkyl having 3 to 8 carbon atoms)), or pharmaceutically acceptable salts thereof.

  以下公式（I）所代表的Estra-1,3,5(10),16-tetraene衍生物：（其中R1代表羟基，烷氧基，或NR2R3（其中R2和R3相同或不同，每个代表具有1至3个碳原子的直链低碳基或具有3至8个碳原子的支链低碳基）），或其药学上可接受的盐。
• PROCESS FOR PRODUCTION OF VINYL PERFLUOROALKANESULFONATE DERIVATIVES
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1553082A1

  公开（公告）日：2005-07-13

  (wherein R1, R2, R3, R4 and R5 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkoxy, or the like; R17 represents trifluoromethyl or the like; R18, R19, R20, R21 and R22 may be the same or different and each represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like). An easy and simple process for producing a vinyl perfluoroalkanesulfonate derivative represented by general formula (IV) which is a useful intermediate in synthesis of medicines, natural products, or the like, at a low cost, is provided. The process is characterized by, for example, reacting a carbonyl compound represented by general formula (I) described above with a perfluoroalkanesulfonic anhydride represented by general formula (II) described above in the presence of a pyridine derivative represented by general formula (III) described above in an amount of 0.1 to 1.0 equivalent to the perfluoroalkanesulfonic anhydride.

  (其中 R1、R2、R3、R4 和 R5 可以相同或不同，各自代表氢原子、取代或未取代的低级烷基、取代或未取代的低级烷氧基或类似物；R17 代表三氟甲基或类似物；R18、R19、R20、R21 和 R22 可以相同或不同，各自代表氢原子、取代或未取代的低级烷基或类似物）。 本发明提供了一种以低成本生产通式（IV）代表的乙烯基全氟烷基磺酸酯衍生物的简便工艺，该衍生物是合成药物、天然产品或类似产品的有用中间体。该工艺的特点是，例如，在上述通式(I)代表的吡啶衍生物存在下，将上述通式(I)代表的羰基化合物与上述通式(II)代表的全氟烷磺酸酐反应，反应物的量为 0.1 至 1.0 个全氟烷磺酸酐当量。
• Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity
  申请人：UNIVERSITY OF MARYLAND, BALTIMORE

  公开号：US10617685B2

  公开（公告）日：2020-04-14

  Nonsteroid and steroid compounds that cause down-regulation of the androgen receptor (AR), both full length and splice variant, induce apoptosis and inhibit proliferation of inhibiting proliferation and migration of androgen sensitive cancer cells. The steroid compounds and nonsteroid compounds may be agents for the prevention and/or treatment of cancer, including prostate cancer, castration resistant prostate cancer, bladder cancer, pancreatic cancer, hepatocellular carcinoma, benign prostatic hyperplasia (BPH), Kennedy's disease, androgenetic alopecia, breast cancer, androgen-insensitive syndrome, and spinal and bulbar muscular atrophy.

  非类固醇和类固醇化合物可导致雄激素受体（AR）（包括全长和剪接变体）的下调，诱导凋亡并抑制对雄激素敏感的癌细胞的增殖和迁移。类固醇化合物和非类固醇化合物可作为预防和/或治疗癌症的药物，包括前列腺癌、阉割抗性前列腺癌、膀胱癌、胰腺癌、肝细胞癌、良性前列腺增生症（BPH）、肯尼迪病、雄激素性脱发、乳腺癌、雄激素不敏感综合征以及脊柱和球部肌肉萎缩症。