3-(4-氯苯基)-丙酰胺 | 887577-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-(4-氯苯基)-丙酰胺
• 英文名称: 3-(4-Chlorophenyl)propanimidamide
• CAS: 887577-25-5
• 化学式: C₉H₁₁ClN₂
• mdl: MFCD06656683
• 分子量: 182.653
• InChiKey: RNCKFBINLFWUDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  ethyl 3-(4-chlorophenyl)propionimidate hydrochloride 在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以86%的产率得到3-(4-氯苯基)-丙酰胺
  参考文献：
  名称：

  Degradation of MAC13243 and studies of the interaction of resulting thiourea compounds with the lipoprotein targeting chaperone LolA

  摘要：

  The discovery of novel small molecules that function as antibacterial agents or cellular probes of biology is hindered by our limited understanding of bacterial physiology and our ability to assign mechanism of action. We previously employed a chemical genomic strategy to identify a novel small molecule, MAC13243, as a likely inhibitor of the bacterial lipoprotein targeting chaperone, LolA. Here, we report on the degradation of MAC13243 into the active species, S-(4-chlorobenzyl)isothiourea. Analogs of this compound (e.g., A22) have previously been characterized as inhibitors of the bacterial actin-like protein, MreB. Herein, we demonstrate that the antibacterial activity of MAC13243 and the thiourea compounds are similar; these activities are suppressed or sensitized in response to increases or decreases of LolA copy number, respectively. We provide STD NMR data which confirms a physical interaction between LolA and the thiourea degradation product of MAC13243, with a K-d of similar to 150 mu M. Taken together, we conclude that the thiourea series of compounds share a similar cellular mechanism that includes interaction with LolA in addition to the well-characterized target MreB. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.005

文献信息

• METALLO-BETA-LACTAMASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20160333021A1

  公开（公告）日：2016-11-17

  The present invention relates to compounds of formula (I) that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

  本发明涉及式(I)的化合物，这些化合物是金属β-内酰胺酶抑制剂，以及这些化合物的合成和与β-内酰胺类抗生素一起用于克服耐药性的用途。
• [EN] METALLO-BETA-LACTAMASE INHIBITORS<br/>[FR] INHIBITEURS DE MÉTALLO-BÊTA-LACTAMASES
  申请人：MERCK SHARP & DOHME

  公开号：WO2015112441A1

  公开（公告）日：2015-07-30

  The present invention relates to compounds of formula (I) that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

  本发明涉及式(I)的化合物，这些化合物是金属β-内酰胺酶抑制剂，以及这些化合物的合成和与β-内酰胺类抗生素一起用于克服耐药性的用途。
• Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis
  申请人：Elliott Leonard Richard

  公开号：US20060241126A1

  公开（公告）日：2006-10-26

  Compounds of formula (I): are inhibitors of the enzyme Lp-PLA 2 and are of use in therapy, in particular for treating atherosclerosis.

  公式为（I）的化合物是Lp-PLA2酶的抑制剂，可用于治疗，特别是用于治疗动脉粥样硬化。
• [EN] 3H,4H,5H,6H,7H-PYRIMIDO[4,5-B][1,4]OXAZINE-4,6-DIONE DERIVATIVES AS TRPA1 INHIBITORS<br/>[FR] DÉRIVÉS DE 3H,4H,5H,6H,7H-PYRIMIDO[4,5-B][1,4]OXAZINE-4,6-DIONE EN TANT QU'INHIBITEURS DE TRPA1
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2022219012A1

  公开（公告）日：2022-10-20

  The present disclosure provides certain 3H,4H,5H,6H,7H-pyrimido[4,5- b][1,4]oxazine-4,6-dione derivatives that are inhibitors of transient receptor potential ankyrin 1 (TRPA1), and are therefore useful for the treatment of diseases treatable by inhibition of TRPAl. Also provided are pharmaceutical compositions containing the same, and processes for preparing said compounds.

  本公开提供了某些3H、4H、5H、6H、7H-嘧啶并[4,5-b][1,4]噁唑-4,6-二酮衍生物，其是瞬时受体电位阿基林1（TRPA1）的抑制剂，因此对于治疗可通过抑制TRPAl治疗的疾病有用。还提供了包含这些化合物的制药组合物以及制备这些化合物的过程。
• [EN] URACIL DERIVATIVES AS TRPA1 INHIBITORS<br/>[FR] DÉRIVÉS D'URACILE UTILES EN TANT QU'INHIBITEURS DE TRPA1
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2022219013A1

  公开（公告）日：2022-10-20

  The present disclosure provides certain uracil derivatives that are inhibitors of transient receptor potential ankyrin 1 (TRPA1), and are therefore useful for the treatment of diseases treatable by inhibition of TRPA1. Also provided are pharmaceutical compositions containing the same, and processes for preparing said compounds.

  本公开提供了某些尿嘧啶衍生物，它们是瞬时受体电位蛋白ANKYRIN 1 (TRPA1)的抑制剂，因此可用于治疗可通过抑制TRPA1治疗的疾病。还提供了含有相同化合物的制药组合物，以及制备该化合物的过程。