((R)-4-tert-Butoxycarbonylamino-6-{(R)-1-[(5,6-dimethyl-benzooxazol-2-yl)-hydroxy-methyl]-3-phenyl-propylamino}-5-hydroxy-hexyl)-carbamic acid tert-butyl ester | 233690-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: ((R)-4-tert-Butoxycarbonylamino-6-{(R)-1-[(5,6-dimethyl-benzooxazol-2-yl)-hydroxy-methyl]-3-phenyl-propylamino}-5-hydroxy-hexyl)-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(3R)-1-[[(2R)-1-(5,6-dimethyl-1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]amino]-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate
• CAS: 233690-84-1
• 化学式: C₃₅H₅₂N₄O₇
• 分子量: 640.82
• InChiKey: UHLGOWBSYKVECK-LZRYTKHDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  46
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  155
• 氢给体数：
  5
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 ((R)-4-tert-Butoxycarbonylamino-6-{(R)-1-[(5,6-dimethyl-benzooxazol-2-yl)-hydroxy-methyl]-3-phenyl-propylamino}-5-hydroxy-hexyl)-carbamic acid tert-butyl ester 以 二氯甲烷 为溶剂， 生成 (R)-3,6-Diamino-1-{(R)-1-[(5,6-dimethyl-benzooxazol-2-yl)-hydroxy-methyl]-3-phenyl-propylamino}-hexan-2-ol; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Peptidomimetics of Efflux Pump Inhibitors Potentiate the Activity of Levofloxacin in Pseudomonas aeruginosa

  摘要：

  Several classes of peptidomimetics of the efflux pump inhibitor D-ornithine-D-homophenylalanine-3-aminoquinoline (MC-02,595) have been prepared and evaluated for their ability to potentiate the activity of the fluoroquinolone levofloxacin in Pseudomonas aeruginosa. A number of the new analogues were as active or more active than the lead. demonstrating that a peptide backbone is not essential for activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00006-9
• 作为产物：
  描述：

  2-氨基-4,5-二甲基-苯酚 在 三乙胺 、 乙酰氯 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 氯仿 为溶剂， 生成 ((R)-4-tert-Butoxycarbonylamino-6-{(R)-1-[(5,6-dimethyl-benzooxazol-2-yl)-hydroxy-methyl]-3-phenyl-propylamino}-5-hydroxy-hexyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Peptidomimetics of Efflux Pump Inhibitors Potentiate the Activity of Levofloxacin in Pseudomonas aeruginosa

  摘要：

  Several classes of peptidomimetics of the efflux pump inhibitor D-ornithine-D-homophenylalanine-3-aminoquinoline (MC-02,595) have been prepared and evaluated for their ability to potentiate the activity of the fluoroquinolone levofloxacin in Pseudomonas aeruginosa. A number of the new analogues were as active or more active than the lead. demonstrating that a peptide backbone is not essential for activity. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00006-9

文献信息

• US6436980B1
  申请人：——

  公开号：US6436980B1

  公开（公告）日：2002-08-20