[(S)-2,2-Dimethyl-1-(morpholine-4-carbonyl)-propyl]-carbamic acid benzyl ester | 609367-73-9

• 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: [(S)-2,2-Dimethyl-1-(morpholine-4-carbonyl)-propyl]-carbamic acid benzyl ester
• 英文别名: benzyl N-[(2S)-3,3-dimethyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
• CAS: 609367-73-9
• 化学式: C₁₈H₂₆N₂O₄
• 分子量: 334.415
• InChiKey: YEOBVXMYCOXISA-OAHLLOKOSA-N

物化性质

• 沸点：
  516.8±50.0 °C(Predicted)
• 密度：
  1.144±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [(S)-2,2-Dimethyl-1-(morpholine-4-carbonyl)-propyl]-carbamic acid benzyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 (S)-2-Amino-3,3-dimethyl-1-morpholin-4-yl-butan-1-one
  参考文献：
  名称：

  Structure–activity relationships of the peptide deformylase inhibitor BB-3497: modification of the P2′ and P3′ side chains

  摘要：

  Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to both the P2' and P3' side chains. Enzyme inhibition and antibacterial activity data revealed that a variety of substituents are tolerated at the P2' and P3' positions of the inhibitor backbone. The data from this study highlights the potential for modification at the P2' and P3' positions to optimise the physicochemical properties. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00533-x
• 作为产物：
  描述：

  吗啉 、 Cbz-L-叔亮氨酸 在 N-羟基-7-氮杂苯并三氮唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [(S)-2,2-Dimethyl-1-(morpholine-4-carbonyl)-propyl]-carbamic acid benzyl ester
  参考文献：
  名称：

  Structure–activity relationships of the peptide deformylase inhibitor BB-3497: modification of the P2′ and P3′ side chains

  摘要：

  Structural modifications to the peptide deformylase inhibitor BB-3497 are described. In this paper, we describe the initial SAR around this lead for modifications to both the P2' and P3' side chains. Enzyme inhibition and antibacterial activity data revealed that a variety of substituents are tolerated at the P2' and P3' positions of the inhibitor backbone. The data from this study highlights the potential for modification at the P2' and P3' positions to optimise the physicochemical properties. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00533-x

文献信息

• SUBSTITUTED IMIDAZOHETEROCYCLES
  申请人：Beckett R. Paul

  公开号：US20090149450A1

  公开（公告）日：2009-06-11

  The present invention provides substituted imidazoheterocyclic compounds having the structure of formula I Also provided are pharmaceutically acceptable salts, acid salts, hydrates, solvates and stereoisomers of the compounds of formula I. The compounds are useful as modulators of cannabinoid receptors and for the prophylaxis and treatment of cannabinoid receptor-associated diseases and conditions, such as pain, inflammation and pruritis.

  本发明提供了具有公式I结构的取代咪唑杂环化合物，同时还提供了公式I化合物的药学上可接受的盐、酸盐、水合物、溶剂合物和立体异构体。该化合物可用作大麻素受体调节剂，并用于预防和治疗与大麻素受体相关的疾病和症状，例如疼痛、炎症和瘙痒等。
• US8431565B2
  申请人：——

  公开号：US8431565B2

  公开（公告）日：2013-04-30