N-[(1,1-二甲基乙氧基)羰基]-1-甲基-D-组氨酸 | 200871-52-9

• 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
• 中文名称: N-[(1,1-二甲基乙氧基)羰基]-1-甲基-D-组氨酸
• 中文别名: N-α-t-丁氧基羰基-1-甲基-D-组氨酸；BOC-D-组氨酸(1-甲基)
• 英文名称: Boc-DPmh-OH
• 英文别名: Boc-D-his(1-ME)-OH；(2R)-3-(1-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
• CAS: 200871-52-9
• 化学式: C₁₂H₁₉N₃O₄
• 分子量: 269.301
• InChiKey: UCKFPCXOYMKRSO-SECBINFHSA-N

物化性质

• 沸点：
  502.2±45.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  93.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 、 N-[(1,1-二甲基乙氧基)羰基]-1-甲基-D-组氨酸 、 Fmoc-D-脯氨酸 、 Fmoc-环亮氨酸 、 Fmoc-O-叔丁基-D-酪氨酸 在 哌啶 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.42h， 以66%的产率得到
  参考文献：
  名称：

  Catalytic Site-Selective Thiocarbonylations and Deoxygenations of Vancomycin Reveal Hydroxyl-Dependent Conformational Effects

  摘要：

  We have examined peptide-based catalysts for the site-selective thiocarbonylation of a protected form of vancomycin. Several catalysts were identified that either enhanced or altered the inherent selectivity profile exhibited by the substrate. Two catalysts, one identified through screening and another through rational design, were demonstrated to be effective on 0.50-g scale. Deoxygenations led ultimately to two new deoxy-vancomycin derivatives, and surprising conformational consequences of deoxygenation were revealed for one of the new compounds. These effects were mirrored in the biological activities of the new analogues and support a structural role for certain hydroxyls in the native structure.

  DOI：

  10.1021/ja302692j

文献信息

• Alanyl-piperidine heterocyclic derivatives useful against cardiovascular diseases
  申请人：——

  公开号：US20040254374A1

  公开（公告）日：2004-12-16

  Compounds of formula (I) 1 in which R 1 , R 2 , n and X 1 have the meanings given in the specification are Factor Xa inhibitors useful in the treatment of thrombotic disorders.

  式(I)的化合物1，其中R1，R2，n和X1具有规范中给定的含义，是治疗血栓性疾病中有用的因子Xa抑制剂。
• New substituted thiophene carboxamides, process for their preparation and their use as medicaments
  申请人：Pfau Roland

  公开号：US20060293300A1

  公开（公告）日：2006-12-28

  The present invention relates to new substituted thiophene-2-carboxylic acid amides of general formula wherein A, and R 1 to R 8c are defined as in claim 1 , the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, which have valuable properties.

  本发明涉及一种新的通式为的取代噻吩-2-羧酸酰胺，其中A和R1至R8的定义如权利要求书所述，其互变异构体、对映异构体、顺反异构体、其混合物和其盐，特别是与无机或有机酸或碱的生理上可接受的盐，具有有价值的性质。
• ALANYL-PIPERIDINE HETEROCYCLIC DERIVATIVES USEFUL AGAINST CARDIOVASCULAR DISEASES
  申请人：ELI LILLY AND COMPANY

  公开号：EP1456198A1

  公开（公告）日：2004-09-15
• US7115609B2
  申请人：——

  公开号：US7115609B2

  公开（公告）日：2006-10-03
• US7732466B2
  申请人：——

  公开号：US7732466B2

  公开（公告）日：2010-06-08