Dihydrotestosterone sulphate | 2641-48-7

• 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: Dihydrotestosterone sulphate
• 英文别名: 5α-androstan-17β-ol-3-one-17-sulfate；dihydrotestosterone sulfate；dihydrotestosterone-17β-sulfate；5α-Androstan-17β-ol-3-one Sulfate；5a-Dihydrotestosterone sulfate；[(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate
• CAS: 2641-48-7
• 化学式: C₁₉H₃₀O₅S
• 分子量: 370.51
• InChiKey: KYVPWJSGFKNNLD-ABEVXSGRSA-N

物化性质

• 密度：
  1.27±0.1 g/cm3(Predicted)
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Dihydrotestosterone sulphate 在 potassium phosphate 、 recombinant human aldo-keto reductase 1C₂ 、 还原型辅酶II(NADPH)四钠盐 作用下， 以 甲醇 为溶剂， 生成 (3A,5A,17B)-雄甾烷-3,17-二醇17-(氢硫酸酯)
  参考文献：
  名称：

  Liquid chromatography–mass spectrometry (LC–MS) of steroid hormone metabolites and its applications

  摘要：

  Advances in liquid chromatography-mass spectrometry (LC-MS) can be used to measure steroid hormone metabolites in vitro and in vivo. We find that LC-electrospray ionization (ESI)-MS using a LCQ ion trap mass spectrometer in the negative ion mode can be used to monitor the product profile that results from 5 alpha-dihydrotestosterone (DHT)-17 beta-glucuronide, DHT-17 beta-sulfate, and tibolone-17 beta-sulfate reduction catalyzed by human members of the aldo-keto reductase (AKR) 1C subfamily and assign kinetic constants to these reactions. We also developed a stable isotope dilution LC-electron capture atmospheric pressure chemical ionization (ECAPCI)-MS method for the quantitative analysis of estrone (El)) and its metabolites as pentafluorobenzyl (PFB) derivatives in human plasma in the attomole range. The limit of detection for E1-PFB was 740 attomole on column. Separations can be performed using normal-phase LC because ionization takes place in the gas phase rather than in solution. This permits efficient separation of the regioisomeric 2- and 4-methoxy-E1. The method was validated for the simultaneous analysis of plasma E2 and its metabolites: 2-methoxy-E2, 4-methoxy-E2, 16 alpha-hydroxy-E2, estrone (E1), 2-methoxy-E1, 4-methoxy-E1, and 16 alpha-hydroxy-E1 from 5 pg/mL to 2000 pg/mL. Our LC-MS methods have sufficient sensitivity to detect steroid hormone levels in prostate and breast tumors and should aid their molecular diagnosis and treatment. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.jsbmb.2010.01.005

文献信息

• ATHEROSCLEROTIC PLAQUE SPECIFIC ANTIGENS, ANTIBODIES THERETO, AND USES THEREOF
  申请人：Scotgen Biopharmaceuticals, Inc.

  公开号：EP0707489A1

  公开（公告）日：1996-04-24
• EP0707489A4
  申请人：——

  公开号：EP0707489A4

  公开（公告）日：1998-07-29
• US5811248A
  申请人：——

  公开号：US5811248A

  公开（公告）日：1998-09-22
• [EN] ATHEROSCLEROTIC PLAQUE SPECIFIC ANTIGENS, ANTIBODIES THERETO, AND USES THEREOF<br/>[FR] ANTIGENES SPECIFIQUES DE LA PLAQUE ATHEROSCLEREUSE, ANTICORPS CONTRE CEUX-CI, ET LEURS UTILISATIONS
  申请人：SCOTGEN BIOPHARMACEUTICALS, INC.

  公开号：WO1994025053A1

  公开（公告）日：1994-11-10

  (EN) An antigen comprising 5,7 cholestadien-3$g(b)-ol (7-dehydrocholesterol) or a compound having a structure similar to 5,7 cholestadien-3$g(b)-ol and a quaternary ammonium salt is provided. Also provided is a method of generating an antibody using the aforementioned antigen, as well as antibodies produced thereby and fragments of such antibodies. The invention also provides a rat myeloma cell line Z2D3 73/30 1D10 and a murine-human chimeric monoclonal antibody produced thereby. A CDR-grafted antibody comprising a CDR region amino acid sequence from hybridoma Z2D3 or hybridoma Z2D3/3E5 and framework and constant region amino acid sequences from a human immunoglobulin is further provided. Also provided are methods for imaging atherosclerotic plaque, ablating atherosclerotic plaque, detecting and quantitatively determining in a sample an antigen indicative of the presence of atherosclerotic plaque, reducing the amount of atherosclerotic plaque in a blood vessel, and treating atherosclerosis in a subject. The invention also provides peptides having amino acid sequences which are the same or substantially the same as those of the aforementioned murine-human chimeric monoclonal antibody, as well as isolated nucleic acid sequences encoding therefor.(FR) L'invention se rapporte à un antigène comprenant 5,7 cholestadiène-3$g(b)-ol (7-déshydrocholestérol) ou un composé ayant une structure similaire à 5,7 cholestadiène-3$g(b)-ol et à un sel d'ammonium quaternaire. L'invention se rapporte également à un procédé générant un anticorps à l'aide de l'antigène mentionné ci-dessus, ainsi qu'à des anticorps obtenus par celui-ci et à des fragments de ces anticorps. L'invention se rapporte également à une lignée cellulaire du myélome du rat Z2D3 73/30 1D10 et à un anticorps monoclonal chimère humain-murin obtenu par celle-ci. L'invention concerne en outre un anticorps greffé sur CDR comprenant une séquence d'acides aminés de la région CDR provenant de l'hybridome Z2D3 ou de l'hybridome Z2D3/3E5, et un squelette et des séquences d'acides aminés de région constante provenant d'une immunoglobuline humaine. Des procédés permettant de visualiser la plaque athéroscléreuse, de procéder à son ablation, de détecter et de déterminer de manière quantitative dans un échantillon un antigène indiquant la présence de la plaque athéroscléreuse, de réduire la plaque athéroscléreuse dans un vaisseau sanguin et de traiter l'athérosclérose chez un sujet sont également décrits. L'invention concerne en outre des peptides ayant des séquences d'acides aminés qui sont identiques ou sensiblement identiques à celles de l'anticorps monoclonal chimère humain-murin mentionné ci-dessus ainsi qu'à des séquences d'acides nucléiques isolées codant pour celui-ci.