α-(pyridin-3-yl)phenylmethyl chloride hydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: α-(pyridin-3-yl)phenylmethyl chloride hydrochloride
• 英文别名: 3-(α-chlorobenzyl)pyridine hydrochloride；α-(pyridin-3-yl)-benzylchloride hydrochloride；α-(3-Pyridyl)benzylchloride hydrochloride；3-[Chloro(phenyl)methyl]pyridine;hydrochloride
• 化学式: C₁₂H₁₀ClN*ClH
• 分子量: 240.132
• InChiKey: SGDVUDUIYAQCDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  12.9
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  α-(pyridin-3-yl)phenylmethyl chloride hydrochloride 在 Rh/Al₂O₃ 氢气 、 sodium hydride 作用下， 以 溶剂黄146 为溶剂， 15.0~60.0 ℃ 、405.3 kPa 条件下， 反应 48.0h， 生成 3-<α-(2-methoxyphenoxy)benzyl>piperidine
  参考文献：
  名称：

  Melloni, Piero; Torre, Arturo Della; Munari, Sergio De, Gazzetta Chimica Italiana, 1985, vol. 115, # 3, p. 159 - 164

  摘要：

  DOI：
• 作为产物：
  描述：

  苯基吡啶-3-基甲醇 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 α-(pyridin-3-yl)phenylmethyl chloride hydrochloride
  参考文献：
  名称：

  EP807626

  摘要：

  公开号：

文献信息

• N-HYDROXYUREA DERIVATIVES
  申请人：Nikken Chemicals Company, Limited

  公开号：EP0807626A1

  公开（公告）日：1997-11-19

  An N-hydroxyurea derivative or a pharmacologically acceptable salt thereof having the formula (I): wherein, A represents CH, CH-CH2, CH-O, or C=CH, X represents O or S, B represents a C1 to C8 alkylene, C2 to C6 alkenylene, m-phenylene, or p-phenylene, R represents a hydrogen atom, halogen atom, C1 to C4 alkyl which may be substituted with a halogen atom, C1 to C4 alkoxy which may be substituted with a halogen atom, or nitro, R1 represents a hydrogen atom, C1 to C4 lower alkyl, or phenyl, and R2 represents a hydrogen atom, C1 to C4 alkyl, cycloalkyl, phenyl which may be substituted with a substituent, or methanesulfonyl.

  一种具有式(I)的 N-羟基脲衍生物或其药理学上可接受的盐： 其中，A 代表 CH、CH-CH2、CH-O 或 C=CH，X 代表 O 或 S，B 代表 C1 至 C8 亚烷基、C2 至 C6 烯基、间苯二酚或对苯二酚，R 代表氢原子、卤素原子、可被卤素原子取代的 C1 至 C4 烷基、可被卤素原子取代的 C1 至 C4 烷氧基或硝基，R1 代表氢原子、卤素原子、可被卤素原子取代的 C1 至 C4 烷氧基或硝基、R1 代表氢原子、C1-C4 低级烷基或苯基，R2 代表氢原子、C1-C4 烷基、环烷基、可被取代基取代的苯基或甲磺酰基。
• MATRINIC ACID/ MATRINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF
  申请人：Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences

  公开号：EP2581376A1

  公开（公告）日：2013-04-17

  The present invention relates to a N-substituted matrinic acid derivative or matrine derivative, and its preparation method and uses. Specifically, the present invention relates to a compound of Formula (I) or (II) (wherein all the definitions of substituted groups are those mentioned in the specification), or a pharmaceutically acceptable salt, geometric isomer, stereoisomer, solvate, ester or prodrug thereof. The present invention further relates to a method for preparing the compound of the present invention, a pharmaceutical composition containing the compound, and uses thereof in manufacture of a medicament. The compound of the present invention can be used for prophylaxis and/or treatment of a disease or disorder associated with viral infection such as hepatitis B and/orhepatitis C and/orAIDS.

  本发明涉及一种 N-取代的马钱子酸衍生物或马钱子碱衍生物及其制备方法和用途。具体地说，本发明涉及一种式（I）或（II）化合物（其中所有取代基团的定义均为说明书中提及的定义），或其药学上可接受的盐、几何异构体、立体异构体、溶液、酯或原药。本发明还涉及一种制备本发明化合物的方法、一种含有本发明化合物的药物组合物及其在制造药物中的用途。本发明化合物可用于预防和/或治疗与病毒感染有关的疾病或紊乱，如乙型肝炎和/或丙型肝炎和/或艾滋病。
• EP807626
  申请人：——

  公开号：——

  公开（公告）日：——
• MELLONI, P.;DELLA, TORRE, A.;DE, MUNARI, S.;MERONI, M.;TONANI, R., GAZZ. CHIM. ITAL., 1985, 115, N 3, 159-163
  作者：MELLONI, P.、DELLA, TORRE, A.、DE, MUNARI, S.、MERONI, M.、TONANI, R.

  DOI：——

  日期：——
• Novel 1-[2-(Diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. A Structure−Activity Relationship Investigation
  作者：Gabriella De Martino、Giuseppe La Regina、Alessandra Di Pasquali、Rino Ragno、Alberto Bergamini、Chiara Ciaprini、Anna Sinistro、Giovanni Maga、Emmanuele Crespan、Marino Artico、Romano Silvestri

  DOI：10.1021/jm050273a

  日期：2005.6.1

  1-[2-(Diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles (DAMNIs) is a novel family of HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) active at submicromolar concentration. Replacement of one phenyl ring of 1-[2-(diphenylmethoxy)ethyl]-2-methyl-5-nitroimidazole (4) with heterocyclic rings, such as 2-thienyl or 3-pyridinyl, led to novel DAMNIs with increased activity. In HIV-1 WT cell-based assay the racemic 1-2-alpha-(thiophen-2-yl)phenylmethoxylethyl}-2-methyl-5-nitroimidazole (7) (EC50 = 0.03 mu M) proved 5 times more active than compound 4. Docking experiments showed that the introduction of a chiral center would not affect the binding of both (R)-7 and (S)-7. The internal scoring function of the Autodock program calculated the same inhibition constant (K-i = 7.9 nM) for the two enantiomers. Compounds 7 (ID50 = 8.25 mu M) were found more active than efavirenz (ID50 = 25 mu M) against the viral RT carrying the K103N mutation, suggesting for these compounds a potential use in efavirenz based anti-AIDS regimens.