3-((3,4-dichlorobenzyl)amino)propan-1-ol | 103323-79-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-((3,4-dichlorobenzyl)amino)propan-1-ol
• 英文别名: 3-(3,4-Dichlor-benzylamino)-propan-1-ol；3-(3,4-dichlorobenzylamino)propanol；3-{[(3,4-Dichlorophenyl)methyl]amino}propan-1-ol；3-[(3,4-dichlorophenyl)methylamino]propan-1-ol
• CAS: 103323-79-1
• 化学式: C₁₀H₁₃Cl₂NO
• mdl: MFCD11162906
• 分子量: 234.125
• InChiKey: WIKFFALWKXCIRI-UHFFFAOYSA-N

物化性质

• 沸点：
  155-160 °C(Press: 0.8 Torr)
• 密度：
  1.262±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-((3,4-dichlorobenzyl)amino)propan-1-ol 在 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 生成 2-[3-(3,4-Dichloro-benzylamino)-propoxy]-1H-quinolin-4-one
  参考文献：
  名称：

  Definition of the heterocyclic pharmacophore of bacterial methionyl tRNA synthetase inhibitors: potent antibacterially active non-quinolone analogues

  摘要：

  Potent inhibitors of bacterial methionyl tRNA synthetase (MRS) have previously been reported. Through SAR of the quinolone moiety, the right hand side pharmacophore for MRS inhibition has now been defined as an NH-C-NH functionality in the context of a bicyclic heteroaromatic system. Potent antibacterial fused-pyrimidone and fused-imidazole analogues have been obtained and enantioselective activity demonstrated. Compound 46 demonstrated very good antibacterial activity against panels of antibiotic-resistant staphylococci and enterococci. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.05.070
• 作为产物：
  描述：

  3,4-二氯氯苄 、 3-氨基-1-丙醇 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以22%的产率得到3-((3,4-dichlorobenzyl)amino)propan-1-ol
  参考文献：
  名称：

  Quinolones used as MRS inhibitors and bactericides

  摘要：

  化合物的化学式（I）是细菌酶S aureus甲硫氨酰tRNA合成酶的抑制剂，并可用于治疗细菌感染。

  公开号：

  US06320051B1

文献信息

• [EN] QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES<br/>[FR] QUINOLONES UTILISEES COMME INHIBITEURS DE MRS ET BACTERICIDES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1999055677A1

  公开（公告）日：1999-11-04

  (EN) Compounds of formula (I) are inhibitors of the bacterial enzyme $i(S aureus) methionyl tRNA synthetase and are of use in treating bacterial infections.(FR) L'invention concerne des composés de formule (I), qui sont des inhibiteurs de l'enzyme bactérienne méthionyl-ARNt synthétase de $i(S aureus) utilisés dans le traitement des infections bactériennes.

  化合物的公式（I）是细菌酶 $i(S aureus) 甲硫氨酰-tRNA 合成酶的抑制剂，并可用于治疗细菌感染。
• Novel non-ATP competitive small molecules targeting the CK2 α/β interface
  作者：Paul Brear、Andrew North、Jessica Iegre、Kathy Hadje Georgiou、Alexandra Lubin、Laura Carro、William Green、Hannah F. Sore、Marko Hyvönen、David R. Spring

  DOI：10.1016/j.bmc.2018.05.011

  日期：2018.7

  Increased CK2 levels are prevalent in many cancers. Combined with the critical role CK2 plays in many cell-signaling pathways, this makes it a prime target for down regulation to fight tumour growth. Herein, we report a fragment-based approach to inhibiting the interaction between CK2 alpha and CK2 beta at the alpha-beta interface of the holoenzyme. A fragment, CAM187, with an IC50 of 44 mu M and a molecular weight of only 257 gmol(-1) has been identified as the most promising compound. Importantly, the lead fragment only bound at the interface and was not observed in the ATP binding site of the protein when co-crystallised with CK2 alpha. The fragment-like molecules discovered in this study represent unique scaffolds to CK2 inhibition and leave room for further optimisation.
• New Amebacides. I. The Preparation of Some N-Benzyl-N-hydroxyalkyldichloroacetamides
  作者：Alexander R. Surrey

  DOI：10.1021/ja01637a056

  日期：1954.4
• QUINOLONES USED AS MRS INHIBITORS AND BACTERICIDES
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1084110A1

  公开（公告）日：2001-03-21
• US6320051B1
  申请人：——

  公开号：US6320051B1

  公开（公告）日：2001-11-20