tamoxifen hydrochloride | 66584-35-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: tamoxifen hydrochloride
• 英文别名: 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;hydrochloride
• CAS: 66584-35-8
• 化学式: C₂₆H₂₉NO*ClH
• 分子量: 407.983
• InChiKey: FTDBIGNROSSDTJ-OQKDUQJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.42
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  12.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tamoxifen hydrochloride 、 sodium hydroxide 以60%的产率得到
  参考文献：
  名称：

  MILLER, R. B.;AL-HASSAN, MOHAMMED, I., J. ORG. CHEM., 1985, 50, N 12, 2121-2123

  摘要：

  DOI：
• 作为产物：
  描述：

  1-苯基-1-丁炔 在 N-甲基吡咯烷酮 、 bis(acetylacetonate)nickel(II) 、 碘 作用下， 反应 3.08h， 生成 tamoxifen hydrochloride
  参考文献：
  名称：

  A nickel-catalyzed carbozincation of aryl-substituted alkynes

  摘要：

  The addition of dialkylzincs or diphenylzinc to substituted phenylacetylenes in the presence of catalytic amounts of Ni(acac)(2) in THF : NMP mixtures produces syn-carbozincation products with good to excellent regio-and stereoselectivity. After quenching with an electrophile (iodine, acyl chloride, allyl bromide) tetrasubstituted olefines are obtained in good to satisfactory yields. An intramolecular version of the reaction is possible using a terminal triple bond bearing an iodine at a remote position. More substituted iodo-alkynes furnish only reductive elimination products. An application to a stereoselective synthesis of (Z)-tamoxifen (Z: E > 99: 1) has been developed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(97)10226-5

文献信息

• QUANTITATION OF TAMOXIFEN AND METABOLITES THEREOF BY MASS SPECTROMETRY
  申请人：QUEST DIAGNOSTICS INVESTMENTS INCORPORATED

  公开号：US20150323513A1

  公开（公告）日：2015-11-12

  Provided are methods for determining the amount of tamoxifen and its metabolites in a sample by mass spectrometry. In some aspects, the methods provided herein comprise determining the amount of norendoxifen. In some aspects, the methods provided herein comprise determining the amount of norendoxifen and tamoxifen. In some aspects, the methods provided herein comprise determining the amount of norendoxifen and other tamoxifen metabolites. In some aspects, the methods provided herein comprise determining the amount of tamoxifen, norendoxifen, and other tamoxifen metabolites.

  本文提供了一种利用质谱法测定样品中的他莫昔芬及其代谢物含量的方法。 在某些方面，本文提供的方法包括测定诺瑞雌酮的含量。 在某些方面，本文提供的方法包括测定诺瑞雌酮和他莫昔芬的含量。 在某些方面，本文提供的方法包括测定诺瑞雌酮和其他他莫昔芬代谢物的含量。 在某些方面，本文提供的方法包括测定他莫昔芬、诺瑞雌酮和其他他莫昔芬代谢物的含量。
• Process for the preparation of tamoxifen
  申请人：Bristol-Myers Company

  公开号：EP0126470A1

  公开（公告）日：1984-11-28

  There is disclosed a process for the preparation of a mixture of tamoxifen and the corresponding E isomer which comprises the reductive coupling of 4-(beta-dimethylamino- ethoxy)benzophenone, or an acid salt thereof and propiophenone. The coupling is induced in the presence of a low valent titanium reagent.

  本发明公开了一种制备他莫昔芬和相应的 E 异构体混合物的工艺，该工艺包括 4-(β-二甲氨基-乙氧基)二苯甲酮或其酸盐与苯丙酮的还原偶联。耦合是在低价钛试剂存在下进行的。
• Quantitation of Tamoxifen and metabolites thereof by mass spectrometry
  申请人：QUEST DIAGNOSTICS INVESTMENTS INCORPORATED

  公开号：US10830746B2

  公开（公告）日：2020-11-10

  Provided are methods for determining the amount of tamoxifen and its metabolites in a sample by mass spectrometry. In some aspects, the methods provided herein determine the amount of norendoxifen. In some aspects, the methods provided herein determine the amount of norendoxifen and tamoxifen. In some aspects, the methods provided herein determine the amount of norendoxifen and other tamoxifen metabolites. In some aspects, the methods provided herein determine the amount of tamoxifen, norendoxifen, and other tamoxifen metabolites.

  本文提供了通过质谱法测定样品中他莫昔芬及其代谢物含量的方法。在某些方面，本文提供的方法可确定去甲炔诺酮的含量。在某些方面，本文提供的方法可确定去甲炔诺酮和他莫昔芬的含量。在某些方面，本文提供的方法可确定去甲炔诺酮和其他他莫昔芬代谢物的含量。在某些方面，本文提供的方法可确定他莫昔芬、去甲炔诺酮和其他他莫昔芬代谢物的量。
• Modified release drug powder composition comprising gastro-retentive RAFT forming systems having trigger pulse drug release
  申请人：Tris Pharma, Inc.

  公开号：US11337919B2

  公开（公告）日：2022-05-24

  An orally administrable drug powder composition which forms a gastro-retentive RAFT having at least two trigger pulses is provided. The composition contains, at a minimum, (a) at least one drug in an immediate release pulse release form; (b) at least one drug in a delayed trigger release form; (c) at least one non-toxic gas generating agent and (d) a RAFT system, wherein following oral ingestion, the composition provides a self-assembling gastro-retentive RAFT having entrapped therein, the at least one drug of (a) and (b) and the gas generated in situ by the non-toxic gas generating agent, thereby providing a floating gastro-retentive RAFT having a dual pulse system wherein at least the second pulse is a trigger pulse and which retains the at least one drug in the stomach for at least about 3 hours, provided that the composition does not include a gamma hydroxybutyrate and its salts, hydrates, tautomers, or solvates, or complexes thereof.

  本发明提供了一种可口服的药物粉末组合物，该组合物可形成具有至少两个触发脉冲的胃保留型 RAFT。该组合物至少包含：(a) 至少一种速释脉冲释放形式的药物；(b) 至少一种延迟触发释放形式的药物；(c) 至少一种无毒气体发生剂和 (d) 一种 RAFT 系统，其中，口服后，该组合物提供一种自组装的胃保留 RAFT，其中夹带有 (a) 和 (b) 中的至少一种药物以及由无毒气体发生剂在原位产生的气体、从而提供一种具有双脉冲系统的浮动胃保留型RAFT，其中至少第二个脉冲是触发脉冲，并将至少一种药物保留在胃中至少约3小时，前提是该组合物不包括γ-羟丁酸及其盐类、水合物、同系物或溶解物或其复合物。
• Protein cages for the delivery of medical imaging and therapeutic agents
  申请人：——

  公开号：US20040115132A1

  公开（公告）日：2004-06-17

  The present invention is directed to novel compositions and methods utilizing delivery agents comprising protein cages, medical imaging agents and therapeutic agents.

  本发明涉及利用由蛋白质笼、医学成像剂和治疗剂组成的递送剂的新型组合物和方法。