N-((R)-1-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1-oxopentan-2-yl)propionamide | 1208111-79-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-((R)-1-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1-oxopentan-2-yl)propionamide
• 英文别名: N-((R)-1-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-2H-pyrrol-1-yl)-4-methyl-1-oxopentan-2-yl)propionamide；N-[(2R)-1-[(2S)-3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]propanamide
• CAS: 1208111-79-8
• 化学式: C₁₈H₃₀N₂O₄
• 分子量: 338.447
• InChiKey: VLXASHGBCKMLEP-KGLIPLIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  BOC-D-亮氨酸 在 吡啶 、 正丁基锂 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 12.51h， 生成 N-((R)-1-((S)-2-isobutyl-3-methoxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methyl-1-oxopentan-2-yl)propionamide
  参考文献：
  名称：

  Structure–Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer

  摘要：

  DOI：

  10.1021/acs.jnatprod.0c00921

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR<br/>[FR] PETITS INHIBITEURS MOLÉCULAIRES DE L'ACTIVATION DU TERMINAL-N DU RÉCEPTEUR ANDROGÈNE
  申请人：BRITISH COLUMBIA CANCER AGENCY

  公开号：WO2010020055A1

  公开（公告）日：2010-02-25

  Compounds having a structure of Formula (A) are provided. Uses of such compounds for treatment of various indications, including prostate cancer as well as methods of treatment involving such compounds are provided. Uses of compounds having a structure of Formula (F) for treatment of various indications, including prostate cancer as well as methods of treatment involving such compounds are also provided.

  提供了具有公式（A）结构的化合物。提供了这些化合物用于治疗各种适应症，包括前列腺癌的用途，以及涉及这些化合物的治疗方法。还提供了具有公式（F）结构的化合物用于治疗各种适应症，包括前列腺癌的用途，以及涉及这些化合物的治疗方法。
• Small Molecule Inhibitors of N-Terminus Activation of the Androgen Receptor
  申请人：Sadar Marianne D.

  公开号：US20110230539A1

  公开（公告）日：2011-09-22

  Compounds having a structure of Formula (A) are provided. Uses of such compounds for treatment of various indications, including prostate cancer as well as methods of treatment involving such compounds are provided. Uses of compounds having a structure of Formula (F) for treatment of various indications, including prostate cancer as well as methods of treatment involving such compounds are also provided.

  提供具有公式（A）结构的化合物。提供使用这种化合物治疗各种疾病的方法，包括前列腺癌以及涉及这种化合物的治疗方法。还提供具有公式（F）结构的化合物用于治疗各种疾病的方法，包括前列腺癌以及涉及这种化合物的治疗方法。
• ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE
  申请人：British Columbia Cancer Agency Branch

  公开号：US20150344424A1

  公开（公告）日：2015-12-03

  Compounds having a structure of Structure I: or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, wherein R 1 , R 2 , R 3 , R 4 , R 6 , Y 1 and Y 2 are as defined herein, and wherein at least one of R 3 or R 4 is a straight-chain C 1 -C 6 haloalkyl, are provided. Uses of such compounds for treatment of various indications, including prostate cancer, as well as methods of treatment involving such compounds are also provided.

  提供具有结构I的化合物，或其药学上可接受的盐、互变异构体或立体异构体，其中R1、R2、R3、R4、R6、Y1和Y2如本文所定义，并且其中至少一个R3或R4是直链C1-C6卤代烷基。提供了这些化合物用于治疗各种适应症，包括前列腺癌的用途，以及涉及这些化合物的治疗方法。
• SMALL MOLECULE INHIBITORS OF N-TERMINUS ACTIVATION OF THE ANDROGEN RECEPTOR
  申请人：British Columbia Cancer Agency Branch

  公开号：EP2331501B1

  公开（公告）日：2016-07-20
• US9487479B2
  申请人：——

  公开号：US9487479B2

  公开（公告）日：2016-11-08