((2R)-3-(2-(2-chloro-6-(4-dimethylamino-3,3-dimethyl-1-pyrrolidinyl)-5-fluoro-4-pyrimidinyl)hydrazino)-2-cyclopentylmethyl-3-oxopropyl)hydroxyformamide | 1152108-33-2

• 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: ((2R)-3-(2-(2-chloro-6-(4-dimethylamino-3,3-dimethyl-1-pyrrolidinyl)-5-fluoro-4-pyrimidinyl)hydrazino)-2-cyclopentylmethyl-3-oxopropyl)hydroxyformamide
• 英文别名: [(2R)-3-(2-{2-chloro-6-[4-(dimethylamino)-3,3-dimethyl-1-pyrrolidinyl]-5-fluoro-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide；N-[(2R)-3-[2-[2-chloro-6-[4-(dimethylamino)-3,3-dimethylpyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
• CAS: 1152108-33-2
• 化学式: C₂₂H₃₅ClFN₇O₃
• 分子量: 500.016
• InChiKey: REPAULOIIAHHHF-AAFJCEBUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  ((2R)-3-(2-(2-chloro-6-(4-dimethylamino-3,3-dimethyl-pyrrolidinyl)-5-fluoro-4-pyrimidinyl)hydrazino)-2-cyclopentylmethyl-3-oxopropyl)(tetrahydro-2H-pyran-2-yloxy)forrmamide 在 二氯甲烷 、 碳酸氢钠 、 Sodium sulfate-III 、 EtOAc-hexanes 作用下， 以 acetic acid monohydrate 为溶剂， 反应 56.0h， 以to provide [(2R)-3-(2-{2-chloro-6-[4-(dimethylamino)-3,3-dimethyl-1-pyrrolidinyl]-5-fluoro-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide (0.0300 g, 51% yield, mixture of diastereomers) as a white solid的产率得到((2R)-3-(2-(2-chloro-6-(4-dimethylamino-3,3-dimethyl-1-pyrrolidinyl)-5-fluoro-4-pyrimidinyl)hydrazino)-2-cyclopentylmethyl-3-oxopropyl)hydroxyformamide
  参考文献：
  名称：

  PEPTIDE DEFORMYLASE INHIBITORS

  摘要：

  本发明涉及某些{2-(烷基)-3-[2-(5-氟-4-嘧啶基)肼基]-3-氧代丙基}羟基甲酰胺衍生物。具体而言，本发明涉及式(I)的化合物：其中R1、R2和R3如下定义，以及其药学上可接受的盐。本发明的化合物是细菌肽变形酶抑制剂，可用于治疗细菌感染。

  公开号：

  US20130045962A1

文献信息

• [EN] PEPTIDE DEFORMYLASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PEPTIDE DÉFORMYLASE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009061879A1

  公开（公告）日：2009-05-14

  The present invention is directed to certain 2-(alkyl)-3-[2-(5-fluoro-4-pyrimidinyl)hydrazino]-3-oxopropyl}hydroxyformamide derivatives, compositions containing them, the use of such compounds in the inhibition of bacterial peptide deformylase (PDF) activity, and in the treatment of bacterial infections. Specifically, the invention is directed to compounds of formula (I), wherein R1, R2 and R3 are defined herein and to pharmaceutically acceptable salts thereof. The compounds of this invention are bacterial peptide deformylase inhibitors and can be useful in the treatment of bacterial infections.

  本发明涉及某些2-(烷基)-3-[2-(5-氟-4-嘧啶基)肼基]-3-氧代丙基}羟甲酰胺衍生物，含有它们的组合物，以及这些化合物在抑制细菌肽变形酶（PDF）活性和治疗细菌感染中的用途。具体而言，该发明涉及式（I）的化合物，其中R1、R2和R3在此有定义，并且其药用盐。本发明的这些化合物是细菌肽变形酶抑制剂，可用于治疗细菌感染。
• Peptide deformylase inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US07893056B2

  公开（公告）日：2011-02-22

  The present invention is directed to certain 2-(alkyl)-3-[2-(5-fluoro-4-pyrimidinyl)hydrazino]-3-oxopropyl}hydroxyformamide derivatives, compositions containing them, the use of such compounds in the inhibition of bacterial peptide deformylase (PDF) activity, and in the treatment of bacterial infections. Specifically, the invention is directed to compounds of formula (I): wherein R1, R2 and R3 are defined herein and to pharmaceutically acceptable salts thereof. The compounds of this invention are bacterial peptide deformylase inhibitors and can be useful in the treatment of bacterial infections.

  本发明涉及某些2-(烷基)-3-[2-(5-氟-4-嘧啶基)肼基]-3-氧代丙基}羟基甲酰胺衍生物，含有它们的组合物，以及在抑制细菌肽变形酶（PDF）活性和治疗细菌感染方面使用这种化合物。具体而言，本发明涉及式（I）的化合物：其中R1、R2和R3在此定义，并且其药学上可接受的盐。本发明的化合物是细菌肽变形酶抑制剂，可用于治疗细菌感染。
• US7893056B2
  申请人：——

  公开号：US7893056B2

  公开（公告）日：2011-02-22
• PEPTIDE DEFORMYLASE INHIBITORS
  申请人：Qin Donghui

  公开号：US20090306066A1

  公开（公告）日：2009-12-10

  The present invention is directed to certain 2-(alkyl)-3-[2-(5-fluoro-4-pyrimidinyl)hydrazino]-3-oxopropyl}hydroxyformamide derivatives, compositions containing them, the use of such compounds in the inhibition of bacterial peptide deformylase (PDF) activity, and in the treatment of bacterial infections. Specifically, the invention is directed to compounds of formula (I): wherein R1, R2 and R3 are defined herein and to pharmaceutically acceptable salts thereof. The compounds of this invention are bacterial peptide deformylase inhibitors and can be useful in the treatment of bacterial infections.

  本发明涉及某些2-(烷基)-3-[2-(5-氟-4-嘧啶基)肼基]-3-氧代丙基}羟基甲酰胺衍生物，包含它们的组合物，这些化合物在抑制细菌肽变形酶（PDF）活性和治疗细菌感染方面的使用。具体而言，本发明涉及式（I）的化合物：其中R1，R2和R3在此定义，并且其药学上可接受的盐。本发明的化合物是细菌肽变形酶抑制剂，可用于治疗细菌感染。