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N-[2-(4-Fluoro-phenyl)-ethyl]-propionamide

中文名称
——
中文别名
——
英文名称
N-[2-(4-Fluoro-phenyl)-ethyl]-propionamide
英文别名
N-[2-(4-fluorophenyl)ethyl]propanamide
N-[2-(4-Fluoro-phenyl)-ethyl]-propionamide化学式
CAS
——
化学式
C11H14FNO
mdl
MFCD05660053
分子量
195.237
InChiKey
KOXWYCANIBCHTD-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.1
  • 重原子数:
    14
  • 可旋转键数:
    4
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.363
  • 拓扑面积:
    29.1
  • 氢给体数:
    1
  • 氢受体数:
    2

反应信息

  • 作为反应物:
    描述:
    N-[2-(4-Fluoro-phenyl)-ethyl]-propionamide盐酸硼烷 作用下, 以 四氢呋喃1,4-二氧六环二氯甲烷 为溶剂, 反应 44.0h, 生成 4-fluoro-N-propylphenethylamine hydrochloride
    参考文献:
    名称:
    An efficient sequence for the preparation of small secondary amine hydrochloride salts for focused library generation without need for distillation or chromatographic purification
    摘要:
    Collections of small secondary amines for compound library generation can be efficiently prepared by amide reduction using BH(3)-THF or Red-Al followed by brief methanolysis, trapping with di-tert-butyl dicarbonate, and deprotection with 4M HCl in dioxane. The sequence requires no chromatography or distillation and provides multi-gram quantities of pure HCl salts in a short time.
    DOI:
    10.1016/j.bmcl.2004.04.014
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文献信息

  • POLY HETEROCYCLIC CONJUGATES AND THEIR PHARMACEUTICAL USES
    申请人:National Health Research Institutes
    公开号:US20210403483A1
    公开(公告)日:2021-12-30
    Compounds of Formula (I) shown below and a pharmaceutical composition containing one of the compounds: Each of the variables is defined herein. Also disclosed is a method of treating a condition associated with uncontrolled cell growth with a compound of Formula (I).
    以下是化学式(I)的化合物以及含有其中一种化合物的药物组合物:这里定义了每个变量。还披露了一种使用化合物(I)治疗与细胞生长失控相关症状的方法。
  • Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease
    申请人:SHY Therapeutics LLC
    公开号:US10588894B2
    公开(公告)日:2020-03-17
    Provided herein are methods and compositions for treating cancers, inflammatory diseases, rasopathies, and fibrotic disease involving aberrant Ras superfamily signaling through the binding of compounds to the GTP binding domain of Ras superfamily proteins including, in certain cases, K-Ras and mutants thereof, and a novel method for assaying such compositions.
    本文提供了通过化合物与 Ras 超家族蛋白(在某些情况下包括 K-Ras 及其突变体)的 GTP 结合结构域结合,治疗涉及 Ras 超家族信号异常的癌症、炎症性疾病、rasopathies 和纤维化疾病的方法和组合物,以及检测此类组合物的新方法。
  • Chemically Derivatized CD4 and Uses Thereof
    申请人:Hendrickson Wayne A.
    公开号:US20090247734A1
    公开(公告)日:2009-10-01
    This invention provides two soluble polypeptides which comprise a portion of CD4 comprising all HIV gp120-binding epitopes present on intact CD4, wherein the polypeptide has a cysteine substitution at a residue which, in intact CD4, interfaces with HIV gp120. This invention also provides a method for making a derivatized soluble polypeptide and a method for obtaining a structural model useful in the design of an agent for inhibiting CD4 binding to HIV gp120.
  • COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE
    申请人:SHY Therapeutics LLC
    公开号:US20190022074A1
    公开(公告)日:2019-01-24
    Provided herein are methods and compositions for treating cancers, inflammatory diseases, rasopathies, and fibrotic disease involving aberrant Ras superfamily signaling through the binding of compounds to the GTP binding domain of Ras superfamily proteins including, in certain cases, K-Ras and mutants thereof, and a novel method for assaying such compositions.
  • US8846684B2
    申请人:——
    公开号:US8846684B2
    公开(公告)日:2014-09-30
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