3-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propane-1-sulfonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propane-1-sulfonic acid
• 英文别名: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propane-1-sulfonic acid
• 化学式: C₁₄H₂₈N₂O₇S
• 分子量: 368.45
• InChiKey: ZXWUIPKXTGEPIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  139
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Metallo-beta-lactamase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10221163B2

  公开（公告）日：2019-03-05

  The present invention relates to metallo-beta-lactamase inhibitor compounds of Formula I: and pharmaceutically acceptable salts thereof, wherein Z, RA, X1, X2 and R1 are as defined herein. The present invention also relates to compositions which comprise a metallo-beta-lactamase inhibitor compound of the invention or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, optionally in combination with a beta-lactam antibiotic and/or a beta-lactamase inhibitor. The invention further relates to methods for treating a bacterial infection comprising administering to a patient a therapeutically effective amount of a compound of the invention, in combination with a therapeutically effective amount of one or more β-lactam antibiotics and optionally in combination with one or more beta-lactamase inhibitor compounds. The compounds of the invention are useful in the methods described herein for overcoming antibiotic resistance.

  本发明涉及式 I 的金属-β-内酰胺酶抑制剂化合物：及其药学上可接受的盐，其中 Z、RA、X1、X2 和 R1 如本文所定义。本发明还涉及组合物，其包含本发明的金属-β-内酰胺酶抑制剂化合物或其药学上可接受的盐，以及药学上可接受的载体，可选择与β-内酰胺抗生素和/或β-内酰胺酶抑制剂结合使用。本发明进一步涉及治疗细菌感染的方法，包括向患者施用治疗有效量的本发明化合物，与治疗有效量的一种或多种β-内酰胺类抗生素联合使用，也可选择与一种或多种β-内酰胺酶抑制剂化合物联合使用。本发明的化合物在本文所述的克服抗生素耐药性的方法中是有用的。
• 3-TETRAZOLYL-BENZENE-1,2-DISULFONAMIDE DERIVATIVES AS METALLO-BETA-LACTAMASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3313832B1

  公开（公告）日：2021-02-24
• METALLO-BETA-LACTAMASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20180244656A1

  公开（公告）日：2018-08-30

  The present invention relates to metallo-beta-lactamase inhibitor compounds of Formula I: and pharmaceutically acceptable salts thereof, wherein Z, R A , X 1 , X 2 and R 1 are as defined herein. The present invention also relates to compositions which comprise a metallo-beta-lactamase inhibitor compound of the invention or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, optionally in combination with a beta-lactam antibiotic and/or a beta-lactamase inhibitor. The invention further relates to methods for treating a bacterial infection comprising administering to a patient a therapeutically effective amount of a compound of the invention, in combination with a therapeutically effective amount of one or more β-lactam antibiotics and optionally in combination with one or more beta-lactamase inhibitor compounds. The compounds of the invention are useful in the methods described herein for overcoming antibiotic resistance.