4-(2-Quinolyl)but-3-en-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(2-Quinolyl)but-3-en-2-one
• 英文别名: (E)-4-quinolin-2-ylbut-3-en-2-one
• 化学式: C₁₃H₁₁NO
• 分子量: 197.23
• InChiKey: ZFAXBDTVRSPYNB-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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：
  30
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-Quinolyl)but-3-en-2-one 、 硼氢化钠 以79%的产率得到
  参考文献：
  名称：

  POPA, D. P.;KUCHKOVA, K. I.;PASECHNIK, G. S., IZV. AN MSSR. CEP. BIOL. I XIM. N.,(1990) N, S. 53-56

  摘要：

  DOI：
• 作为产物：
  描述：

  喹啉-2-甲醛 、 丙酮 生成 4-(2-Quinolyl)but-3-en-2-one
  参考文献：
  名称：

  POPA, D. P.;KUCHKOVA, K. I.;PASECHNIK, G. S., IZV. AN MSSR. CEP. BIOL. I XIM. N.,(1990) N, S. 53-56

  摘要：

  DOI：

文献信息

• [EN] QUINAZOLINONE DERIVATIVES<br/>[FR] DERIVES DE QUINAZOLINONE
  申请人：CELLTECH R&D LTD

  公开号：WO2004018462A1

  公开（公告）日：2004-03-04

  A compound of formula (1): wherein: X is an oxygen or sulfur atom; R1 is an aliphatic, cycloaliphatic or cycloalkyl-alkyl-group; R2 is an optionally substituted heteroaromatic group or a -CN group; R3 is a group -(Alk1)mL1(Alk2)nR6 in which m and n, which may be the same or different, is each zero or the integer 1, Alk1 and Alk2, which may be the same or different, is each an optionally substituted aliphatic or heteroaliphatic chain, L1 is a covalent bond or a linker atom or group and R6 is a hydrogen atom or an optionally substituted cycloaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group; R4 is a group -(Alk3)pL2(Alk4)qR7 in which p and q, which may be the same or different, is each zero or the integer 1, Alk3 and Alk4, which may be the same or different, is each an optionally substituted aliphatic or heteroaliphatic chain, L2 is a covalent bond or a linker atom or group and R7 is a hydrogen or halogen atom or a -CN group or an optionally substituted cycloaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group; R5 is a hydrogen atom or an optionally substituted aliphatic group; and the salts, solvates, hydrates, tautomers, isomers or N-oxides thereof. The compounds of the present invention are potent inhibitors of IMPDH.

  翻译结果如下： 公式(1)的化合物：其中：X是氧原子或硫原子；R1是脂肪族、环脂肪族或环烷基-烷基团；R2是可选地取代的杂芳基团或-CN基团；R3是组-(Alk1)mL1(Alk2)nR6，其中m和n相同或不同，都是零或整数1，Alk1和Alk2相同或不同，都是可选地取代的脂肪族或杂脂肪族链，L1是共价键或连接原子或团，R6是氢原子或可选地取代的环脂肪族、杂环脂肪族、芳香族或杂芳族团；R4是组-(Alk3)pL2(Alk4)qR7，其中p和q相同或不同，都是零或整数1，Alk3和Alk4相同或不同，都是可选地取代的脂肪族或杂脂肪族链，L2是共价键或连接原子或团，R7是氢或卤素原子或-CN基团或可选地取代的环脂肪族、杂环脂肪族、芳香族或杂芳族团；R5是氢原子或可选地取代的脂肪族团；以及其盐、溶剂化物、水合物、互变异构体、同分异构体或N-氧化物。本发明的化合物是IMPDH的强效抑制剂。
• THREE-DIMENSIONAL CAVITIES OF DENDRITIC CELL IMMUNORECEPTOR (DCIR), COMPOUNDS BINDING THERETO AND THERAPEUTIC APPLICATIONS RELATED TO INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 (HIV-1)
  申请人：Universite Laval

  公开号：US20150157705A1

  公开（公告）日：2015-06-11

  The invention is concerned with compounds, pharmaceutical compositions, screening methods, and therapeutic methods for preventing or reducing a human immunodeficiency virus type-1 (HIV-1) infection and/or propagation associated with dendritic cell immunoreceptor (DCIR). Described herein are compounds which bind on at least one three-dimensional cavity of the DCIR, the cavity(ies) being involved in the interaction between HIV-1 and DCIR. Also described are screening methods for identifying active inhibitors and method of using such inhibitors for the prevention or treatment of virus infections, and more particularly for reducing human immunodeficiency virus type-1 (HIV-1) binding, entry and/or replication in human cells.
• US3989708A
  申请人：——

  公开号：US3989708A

  公开（公告）日：1976-11-02
• US9731001B2
  申请人：——

  公开号：US9731001B2

  公开（公告）日：2017-08-15
• POPA, D. P.;KUCHKOVA, K. I.;PASECHNIK, G. S., IZV. AN MSSR. CEP. BIOL. I XIM. N.,(1990) N, S. 53-56
  作者：POPA, D. P.、KUCHKOVA, K. I.、PASECHNIK, G. S.

  DOI：——

  日期：——