(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate

• 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: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]-4-phenylsulfanyl-butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide; thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
• 英文别名: (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
• 化学式: C69H93N9O9S3
• 分子量: 1288.7
• InChiKey: WXXJFXNOGVIBLR-GZULKKLUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.65
• 重原子数：
  90
• 可旋转键数：
  28
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  330
• 氢给体数：
  8
• 氢受体数：
  15

文献信息

• Identification of compounds that inhibit replication of human immunodeficiency virus
  申请人：Balzarini Rene Jan Maria

  公开号：US20060188920A1

  公开（公告）日：2006-08-24

  The present invention relates to the discovery of a novel class of compounds that inhibit the replication of human immunodeficiency virus (HIV) and approaches to identify these compounds. More specifically, it has been found that enzymatically prepared alpha-hydroxyglycinamide and synthetically prepared alpha-hydroxyglycinamide inhibit the replication of HIV in human serum. Embodiments include methods to identify modified glycinamide compounds that inhibit HIV, methods to isolate and synthesize modified glycinamide compounds, and therapeutic compositions comprising these compounds.

  本发明涉及一种新型化合物类别的发现，该类化合物抑制人类免疫缺陷病毒（HIV）的复制，并且有关鉴定这些化合物的方法。更具体地说，发现酶法制备的α-羟基甘氨酰胺和合成制备的α-羟基甘氨酰胺可以抑制人体血清中HIV的复制。实施例包括鉴定抑制HIV的改性甘氨酰胺化合物的方法，分离和合成改性甘氨酰胺化合物的方法，以及包含这些化合物的治疗组合物。
• Therapeutic compounds and uses thereof
  申请人：GENENTECH, INC.

  公开号：US10206931B2

  公开（公告）日：2019-02-19

  The present invention relates to compounds of formula (I): and to salts thereof, wherein A has any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders.

  本发明涉及式（I）化合物： 及其盐，其中 A 具有说明书中定义的任一值，以及其组合物和用途。这些化合物可用作 CBP 和/或 EP300 的抑制剂。还包括包含式（I）化合物或其药学上可接受的盐的药物组合物，以及使用此类化合物和盐治疗各种CBP和/或EP300介导的疾病的方法。
• Anti-retroviral analysis by mass spectrometry
  申请人：Soldin J. Steven

  公开号：US20050032042A1

  公开（公告）日：2005-02-10

  Methods for the simultaneous or sequential analysis and quantification of a plurality of antiretroviral analytes in a complex biological matrix by mass spectrometry are disclosed. The methods require minimal sample size, minimal preparation time and allow for rapid through-put. The system is particularly useful in therapeutic drug monitoring.

  本发明公开了利用质谱同时或连续分析和定量复杂生物基质中多种抗逆转录病毒分析物的方法。这些方法只需最小的样本量和最短的准备时间，并可快速通过。该系统尤其适用于治疗药物监测。
• EP1613953A2
  申请人：——

  公开号：EP1613953A2

  公开（公告）日：2006-01-11
• EP1613953A4
  申请人：——

  公开号：EP1613953A4

  公开（公告）日：2006-09-06