3-Desoxydehydroepiandrosteron | 25824-80-0

• 物质功能分类: 天然产物 - 甾体化合物
• 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-Desoxydehydroepiandrosteron
• 英文别名: Androst-5-en-17-on；androst-5-ene-17-one；3-Deoxy C19 Steroid 6；(10R,13S)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
• CAS: 25824-80-0；67008-42-8
• 化学式: C₁₉H₂₈O
• 分子量: 272.431
• InChiKey: AFGDPPHTYUQKOF-WFZCBACDSA-N

物化性质

• 熔点：
  105-107 °C
• 沸点：
  383.3±41.0 °C(Predicted)
• 密度：
  1.05

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-Desoxydehydroepiandrosteron 在 sodium tetrahydroborate 、 盐酸 、 氯化铵 作用下， 以 甲醇 、 水 为溶剂， 反应 4.5h， 以95%的产率得到17β-Hydroxy-androsten-(5)
  参考文献：
  名称：

  Novel derivatives of androstane and androstene with ascorbic acid and use thereof in treating or preventing various conditions, diseases, and disorders

  摘要：

  本发明提供了包括雄烷和雄烯系列化合物与抗坏血酸结合的新颖衍生物，包括其盐，并由下列一个或多个通式表示： 其中R1、R2、R3、R4、R5、R6可以分别选择为氢、OH、羰基和抗坏血酸基团；R7可以是氢或任何卤素。

  公开号：

  US20030232797A1
• 作为产物：
  描述：

  3β-Iodoandrost-5-ene-17-one 在 溶剂黄146 、 锌 作用下， 反应 2.0h， 以95%的产率得到3-Desoxydehydroepiandrosteron
  参考文献：
  名称：

  Novel derivatives of androstane and androstene with ascorbic acid and use thereof in treating or preventing various conditions, diseases, and disorders

  摘要：

  本发明提供了包括雄烷和雄烯系列化合物与抗坏血酸结合的新颖衍生物，包括其盐，并由下列一个或多个通式表示： 其中R1、R2、R3、R4、R5、R6可以分别选择为氢、OH、羰基和抗坏血酸基团；R7可以是氢或任何卤素。

  公开号：

  US20030232797A1

文献信息

• Compositions relating to vitamin D
  申请人：Siemens Healthcare Diagnostics Inc.

  公开号：US10399938B2

  公开（公告）日：2019-09-03

  The present invention discloses compositions that comprise compounds relating to vitamin D. These compounds are useful for assays in the determination and distinguishing of certain 3-epimeric 25 hydroxyvitamin D and non-epimeric 25 hydroxyvitamin D. The compositions of the present invention may be used for example as immunogens used to develop antibodies to certain vitamin D compounds or conjugates used in assays for certain vitamin D compounds or used as a solid phase reagent in assays. The composition comprises a compound of one or more of the generic formula (R1)p-(L)q-Z.

  本发明公开了包含与维生素D有关的化合物的组合物，这些化合物可用于测定和区分某些3-表聚25羟基维生素D和非表聚25羟基维生素D。本发明的组合物可用作例如用于开发某些维生素D化合物抗体的免疫原，或用于测定某些维生素D化合物的共轭物，或用作测定中的固相试剂。本发明组合物包含一种或多种通式（R1）p-（L）q-Z 的化合物。
• ASSAYS FOR VITAMIN D EPIMERS
  申请人：Siemens Healthcare Diagnostics Inc.

  公开号：EP3161006B1

  公开（公告）日：2019-03-13
• BINDING PARTNERS SPECIFIC FOR VITAMIN D EPIMERS
  申请人：Siemens Healthcare Diagnostics Inc.

  公开号：US20170121426A1

  公开（公告）日：2017-05-04

  Antibodies are raised against compounds of Formula (I) where Z is an immunogenic carrier. These compounds are capable of binding specifically to corresponding antibodies. The antibodies are specific for epimers of vitamin D. Antibodies in accordance with the principles described herein may be employed to minimize or eliminate 3-epimer cross-reactivity in assays for non-epimeric forms of vitamin D analytes. Over-estimation of total non-epimeric vitamin D analyte caused by the cross-reactivity of 3-epimer vitamin D with an antibody for vitamin D analyte can be substantially avoided employing, as blocking agents, antibodies prepared against immunogens that are a compound of the Formula (I) wherein Z is an immunogenic carrier.
• COMPOSITIONS RELATING TO VITAMIN D
  申请人：Siemens Healthcare Diagnostics Inc.

  公开号：US20170114012A1

  公开（公告）日：2017-04-27

  This invention relates to compositions, methods and kits for determining the presence and/or amount of vitamin D analytes, including vitamin D isomers, and metabolites thereof in a sample suspected of containing the same. Compounds include compounds of the Formula I, namely, (R 1 ) p -(L) q -Z wherein R 1 , L, p and q are as defined herein. These compounds are capable of binding specifically to corresponding antibodies. Compounds and antibodies in accordance with the principles described herein can have therapeutic activity. These compounds may be administered in therapeutically effective amount, which is an amount to provide treatment of a particular disease state associated with vitamin D. Administration of the examples of compounds in accordance with the principles described herein can be by means of any of the accepted modes of administration for agents that serve similar utilities.
• BINDING PARTNERS SPECIFIC FOR VITAMIN D EPIMERS IN VITAMIN D ASSAYS
  申请人：Siemens Healthcare Diagnostics Inc.

  公开号：US20170168076A1

  公开（公告）日：2017-06-15

  Methods include determining an amount of vitamin D analyte in a sample suspected of containing the vitamin D analyte. A combination is provided in an assay medium that includes the sample, a vitamin D epimer antibody that is specific for epimers of the vitamin D analyte wherein the vitamin D epimer antibody does not bind to any detectable degree to the vitamin D analyte, and a vitamin D antibody that is specific for the vitamin D analyte, and. The assay medium is incubated under conditions for binding of the vitamin D epimer antibody to the epimers of the vitamin D analyte and for binding of the vitamin D antibody to the vitamin D analyte to form a vitamin D antibody-bound complex. The amount of vitamin D antibody-bound complex is determined and related to the amount of vitamin D analyte in the sample.