methyl (2R)-2-amino-5-{3-[(2,3-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)sulfonyl]guanidino}pentanoate | 549547-42-4

• 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: methyl (2R)-2-amino-5-{3-[(2,3-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)sulfonyl]guanidino}pentanoate
• 英文别名: (R)-Arg(Pmc)-OMe；methyl (2R)-2-amino-5-{[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]carbamimidamido}pentanoate；Methyl (2R)-2-amino-5-{[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]carbamimidamido}pentanoate；methyl (2R)-2-amino-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]pentanoate
• CAS: 549547-42-4
• 化学式: C₂₁H₃₄N₄O₅S
• 分子量: 454.591
• InChiKey: JOFZYRXKXGNJSK-MRXNPFEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl (2R)-2-amino-5-{3-[(2,3-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)sulfonyl]guanidino}pentanoate 、 1-苄基-2-氧代-1,2-二氢-3-吡啶羧酸 在 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 48.0h， 以82%的产率得到methyl (2R)-2-{[(1-benzyl-2-oxo-1,2-dihydropyridin-3-yl)carbonyl]amino}-5-{[(2,2,5,7,8-pentamethyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]carbamimidamido}pentanoate
  参考文献：
  名称：

  WO2008/79371

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl (2R)-2-(9H-9-fluorenylmethoxycarboxamido)-5-{3-[(2,3-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)sulfonyl]guanidino}pentanoate 在 哌啶 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以80%的产率得到methyl (2R)-2-amino-5-{3-[(2,3-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-yl)sulfonyl]guanidino}pentanoate
  参考文献：
  名称：

  Synthesis and antibacterial activity of C2-symmetric binaphthyl scaffolded amino acid derivatives

  摘要：

  The synthesis of eleven novel antibacterial agents is reported. The structures are based on a C-2-symmetric binaphthyl scaffold which holds two identical chains consisting of a short linker, a basic amino acid and a small hydrophobic side chain. Antibacterial activity is revealed for a number of derivatives down to an MIC of 2 mu g/mL (2 mu M) against Staphylococcus aureus - comparable to vancomycin, and an MIC of 31 mu g/mL (31 mu M) against some vancomycin-resistant enterococcal strains. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.06.024

文献信息

• Modulators of C3a receptor and methods of use thereof
  申请人：Biediger Ronald J.

  公开号：US20080188528A1

  公开（公告）日：2008-08-07

  Provided are compounds that are modulators of C3a receptor activity, compositions containing the compounds and methods of use of the compounds and compositions. In certain embodiments, the compounds are pyridones. In certain embodiments, provided are methods for treatment or amelioration of diseases associated with modulation of C3a receptor activity.

  提供了一些化合物，它们是C3a受体活性的调节剂，包括含有这些化合物的组合物和使用这些化合物和组合物的方法。在某些实施例中，这些化合物是吡啶酮。在某些实施例中，提供了用于治疗或改善与C3a受体活性调节相关的疾病的方法。
• Synthesis and antibacterial activity of C2-symmetric binaphthyl scaffolded amino acid derivatives
  作者：Mark Robertson、John B. Bremner、Jonathan Coates、John Deadman、Paul A. Keller、Stephen G. Pyne、Kittiya Somphol、David I. Rhodes

  DOI：10.1016/j.ejmech.2011.06.024

  日期：2011.9

  The synthesis of eleven novel antibacterial agents is reported. The structures are based on a C-2-symmetric binaphthyl scaffold which holds two identical chains consisting of a short linker, a basic amino acid and a small hydrophobic side chain. Antibacterial activity is revealed for a number of derivatives down to an MIC of 2 mu g/mL (2 mu M) against Staphylococcus aureus - comparable to vancomycin, and an MIC of 31 mu g/mL (31 mu M) against some vancomycin-resistant enterococcal strains. Crown Copyright (C) 2011 Published by Elsevier Masson SAS. All rights reserved.
• WO2008/79371
  申请人：——

  公开号：——

  公开（公告）日：——