4-[(2,6-二氯苄基)氧基]苯甲醛 | 166049-76-9

• 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: 4-[(2,6-二氯苄基)氧基]苯甲醛
• 中文别名: 4-[(2,6-二氯苯基)甲氧基]苯甲醛；4-(2,6-二氯苄基)氧基苯甲醛
• 英文名称: 4-(2,6-Dichlorobenzyloxy)benzaldehyde
• 英文别名: 4-[(2,6-Dichlorobenzyl)oxy]benzaldehyde；4-[(2,6-dichlorophenyl)methoxy]benzaldehyde
• CAS: 166049-76-9
• 化学式: C₁₄H₁₀Cl₂O₂
• mdl: MFCD03422465
• 分子量: 281.138
• InChiKey: HUSGNWQDBYHKLU-UHFFFAOYSA-N

物化性质

• 熔点：
  68-69°C
• 沸点：
  419.8±35.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2913000090

反应信息

• 作为反应物：
  描述：

  4-[(2,6-二氯苄基)氧基]苯甲醛 在 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 水 、 1,2-二氯乙烷 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  Anti-human immunodeficiency activity of novel 2-arylpyrrolidine analogs

  摘要：

  A series of 26 new compounds were synthesized and screened for their anti-human immunodeficiency virus-1 and cytotoxicity activity. Of these, 14 were found to be inhibitors of human immunodeficiency virus replications in primary human lymphocytes with 50 % effective concentration values < 20 A mu M. Moreover, most of the compounds were cytotoxic to human lymphocytes, CEM, and Vero cells. Our structure activity relationship study identified different patterns. Compounds 2g-j and 4 (whose structure is closer to the loviride structure) were very potent. Comparing the activity of the compounds containing the 2-aryl substituents, we observed that compounds with benzyloxyphenyl groups were more potent. Compounds in which the 1-aryl moiety contained methyl group in 4- or 3,5-positions also showed high activity. In the series of compounds containing the nitrile, amine, and amide groups, we observed a decrease in activity with CN > NH2 > C(O)NH2. The difference of activity between the 5-membered and 4-membered rings compounds was not significant. This initial information could be used to design improved anti-human immunodeficiency virus compounds in this class.

  DOI：

  10.1007/s00044-016-1731-7
• 作为产物：
  描述：

  对羟基苯甲醛 、 2,6-二氯苄基溴 以 N-甲基乙酰胺 为溶剂， 以89%的产率得到4-[(2,6-二氯苄基)氧基]苯甲醛
  参考文献：
  名称：

  Fatty acid synthase inhibitors

  摘要：

  本发明涉及使用化合物作为脂肪酸合酶FabH的抑制剂。

  公开号：

  US06559179B1

文献信息

• Fatty acid synthase inhibitors
  申请人：——

  公开号：US20030220392A1

  公开（公告）日：2003-11-27

  This invention relates to the use of compounds as inhibitors of the fatty acid synthase FabH.

  这项发明涉及化合物作为脂肪酸合成酶FabH的抑制剂的用途。
• [EN] SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1)<br/>[FR] COMPOSÉS D'AMIDE D'ISOXAZOLE SUBSTITUÉS EN TANT QU'INHIBITEURS DE STÉAROYL-COA DÉSATURASE 1 (SCD1)
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014086704A1

  公开（公告）日：2014-06-12

  The invention is concerned with a compound of formula (I) and pharmaceutically acceptable salts thereof. In addition, the present invention relates to methods of manufacturing and using the compound of formula (I) as well as pharmaceutical compositions containing such compounds. The compound of formula (I) are SCD1 inhibitors and may be useful in treating cancer.

  该发明涉及一种具有化学式(I)及其药学上可接受的盐的化合物。此外，本发明涉及制造和使用化学式(I)化合物的方法，以及含有这种化合物的药物组合物。化学式(I)的化合物是SCD1抑制剂，可能在治疗癌症方面有用。
• Indole compounds useful for treating bacterial infections
  申请人：SmithKline Beecham Corporation

  公开号：US06486192B1

  公开（公告）日：2002-11-26

  This invention relates to the use of certain indole compounds, which are active as inhibitors of the fatty acid synthase FabH, for the treatment of bacterial infections.

  本发明涉及使用某些吲哚类化合物作为脂肪酸合成酶FabH的抑制剂，用于治疗细菌感染。
• Cinnamic acid derivatives
  申请人：Celltech Therapeutics Limited

  公开号：US06329362B1

  公开（公告）日：2001-12-11

  Compounds of formula (1) are described: wherein L1 is a covalent bond or a linker atom or group; R is a carboxylic acid (—CO2H) or a derivative threof; R6 and R7 which may be the same or different is each an atom or group —L2(Alk2)tL3R12 in which L2, L3, Alk2 and t are as previously defined and R12 is a hydrogen or halogen atom or an —OR9, —NR9R10, —NO2, —CN, —CO2R9, —CONR9R10, —COR9, —N(R9)COR10, —N(R9)CSR10, —SO2N(R9)(R10), —N(R9)SO2R9, —N(R9)CON(R10)(R11), —N(R9)CSN(R10)(R11), —N(R9)SO2N(R10)(R11), or an optionally substituted aliphatic, heteroaliphatic, cycloaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group provided that R6 and R7 are not both hydrogen atoms and when R7 is a hydrogen atom then R4 and R5 is each a hydrogen or halogen atom or an alkyl, alkoxy or nitro group; and the salts, solvates, hydrates and N-oxides thereof, for use in modulating cell adhesion. The compounds are able to inhibit the binding of alpha 4 integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders.

  描述了化合物的公式（1）：其中L1是共价键或连接器原子或基团；R是羧酸（-CO2H）或其衍生物；R6和R7可以相同也可以不同，分别是一个原子或基团-L2（Alk2）tL3R12，其中L2，L3，Alk2和t如先前所定义，R12是氢或卤素原子或-OR9，-NR9R10，-NO2，-CN，-CO2R9，-CONR9R10，-COR9，-N（R9）COR10，-N（R9）CSR10，-SO2N（R9）（R10），-N（R9）SO2R9，-N（R9）CON（R10）（R11），-N（R9）CSN（R10）（R11），-N（R9）SO2N（R10）（R11）或一个可选择取代的脂肪族，杂原子脂肪族，环脂肪族，杂环脂肪族，芳香族或杂芳香族基团，前提是R6和R7不都是氢原子，当R7是氢原子时，R4和R5分别是氢或卤素原子或烷基，烷氧基或硝基基团；以及其盐，溶剂化合物，水合物和N-氧化物，用于调节细胞粘附。这些化合物能够抑制α4整合素与其配体的结合，并可用于预防和治疗免疫或炎症性疾病。
• SUBSTITUTED ISOXAZOLE AMIDE COMPOUNDS AS INHIBITORS OF STEAROYL-COA DESATURASE 1 (SCD1)
  申请人：HOFFMANN-LA ROCHE

  公开号：US20150307463A1

  公开（公告）日：2015-10-29

  The invention is concerned with a compound of formula (I) and pharmaceutically acceptable salts thereof. In addition, the present invention relates to methods of manufacturing and using the compound of formula (I) as well as pharmaceutical compositions containing such compounds. The compound of formula (I) are SCD1 inhibitors and may be useful in treating cancer.

  本发明涉及公式(I)的化合物及其药学上可接受的盐。此外，本发明还涉及制造和使用公式(I)的化合物的方法，以及包含这些化合物的药物组合物。公式(I)的化合物是SCD1抑制剂，可能有助于治疗癌症。