3'-(3-methoxymorpholino)doxorubicin

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: 3'-(3-methoxymorpholino)doxorubicin
• 英文别名: nemorubicin；3'-desamino-3'-(2-methoxy-4-morpholinyl)doxorubicin；FCE23762；(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-(2-methoxymorpholin-4-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• 化学式: C₃₂H₃₇NO₁₃
• 分子量: 643.645
• InChiKey: CTMCWCONSULRHO-NLRABFGESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  46
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  202
• 氢给体数：
  5
• 氢受体数：
  14

ADMET

代谢

甲氧基吗啡啉多西他赛已知的人类代谢物包括PNU-159682。

Methoxymorpholinyldoxorubicin has known human metabolites that include PNU-159682.

来源:NORMAN Suspect List Exchange

反应信息

• 作为产物：
  描述：

  甲基 alpha-L-阿拉伯吡喃糖苷 、 阿霉素 生成 3'-(3-methoxymorpholino)doxorubicin
  参考文献：
  名称：

  BARGIOTTI, A.;ZINI, P.;PENCO, S.;GLULIANI, F.

  摘要：

  DOI：

文献信息

• ANTHRACYCLINE DERIVATIVE CONJUGATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR COMPOUNDS
  申请人：Beria Italo

  公开号：US20100034837A1

  公开（公告）日：2010-02-11

  The present invention relates to conjugates of therapeutically useful anthracyclines with carriers such as polyclonal and monoclonal antibodies, proteins or peptides of natural or synthetic origin; methods for their preparation, pharmaceutical composition containing them and use thereof in treating certain mammalian tumors.

  本发明涉及治疗有用的蒽环类药物与载体（如多克隆和单克隆抗体、天然或合成来源的蛋白质或肽）的结合物，其制备方法，含有它们的药物组合物以及在治疗某些哺乳动物肿瘤中的应用。
• BARGIOTTI, A.;ZINI, P.;PENCO, S.;GLULIANI, F.
  作者：BARGIOTTI, A.、ZINI, P.、PENCO, S.、GLULIANI, F.

  DOI：——

  日期：——
• NEMORUBICIN METABOLITE AND ANALOG REAGENTS, ANTIBODY-DRUG CONJUGATES AND METHODS
  申请人：Genentech, Inc.

  公开号：EP2240495B1

  公开（公告）日：2015-07-15
• Antibody Drug Conjugates
  申请人：Sorrento Therapeutics, Inc.

  公开号：US20170224835A1

  公开（公告）日：2017-08-10

  There is disclosed antibody drug conjugates having anthracycline derivative drug moieties that provide improved safety and cell killing efficacy, wherein the anthracycline derivative drug moieties substitute an hydroxymethyl ketone moiety for an hydrazide or hydroxamate moiety. The disclosed cytotoxic agents (i.e., drug moieties) are conjugated to an antibody via either a Cys or a Lys residue. For Lys conjugation, the DAR (drug antibody ratio) of the majority of the ADC is 2 whereas the DAR of the majority of ADC is 4 when conjugation occurs on a Cys residue.
• US8389697B2
  申请人：——

  公开号：US8389697B2

  公开（公告）日：2013-03-05