3-(3-chloro-4-fluoro-phenyl)-propionaldehyde | 1057671-07-4

• 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-chloro-4-fluoro-phenyl)-propionaldehyde
• 英文别名: 3-(3-Chloro-4-fluorophenyl)propanal
• CAS: 1057671-07-4
• 化学式: C₉H₈ClFO
• 分子量: 186.613
• InChiKey: RUZDLPUZAMKBMP-UHFFFAOYSA-N

物化性质

• 沸点：
  246.0±25.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-chloro-4-fluoro-phenyl)-propionaldehyde 、 硫脲 在 N-氯代丁二酰亚胺 、 L-脯氨酸 作用下， 以 二氯甲烷 、 乙醇 为溶剂， 以55%的产率得到5-[(3-Chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
  参考文献：
  名称：

  Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide

  摘要：

  A series of structurally novel stearoyl-CoA desaturase-1 (SCD-1) inhibitors has been identified by optimizing a hit from our corporate library. Preliminary structure-activity relationship (SAR) studies led to the discovery of the highly potent and orally bioavailable thiazole-based SCD-1 inhibitor, 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide (23a). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.119
• 作为产物：
  描述：

  2-氯-1-氟-4-碘苯 、 烯丙醇 在 四丁基氯化铵 、 palladium diacetate 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到3-(3-chloro-4-fluoro-phenyl)-propionaldehyde
  参考文献：
  名称：

  Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide

  摘要：

  A series of structurally novel stearoyl-CoA desaturase-1 (SCD-1) inhibitors has been identified by optimizing a hit from our corporate library. Preliminary structure-activity relationship (SAR) studies led to the discovery of the highly potent and orally bioavailable thiazole-based SCD-1 inhibitor, 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide (23a). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.119

文献信息

• [EN] IMIDAZOPYRIMIDINONES AND USES THEREOF<br/>[FR] IMIDAZOPYRIMIDINONES ET LEURS UTILISATIONS
  申请人：AVEXA LTD

  公开号：WO2010000031A1

  公开（公告）日：2010-01-07

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. The present invention further provides a method of treatment or prophylaxis of a viral infection in a subject comprising administering to said subject an effective amount of a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. Pharmaceutical compositions comprising a compound of formula (I) are also provided.

  本发明提供了一种式（I）的化合物或其药用可接受的衍生物、盐或前药。本发明还提供了一种治疗或预防受试者病毒感染的方法，包括向该受试者施用一定剂量的式（I）的化合物或其药用可接受的衍生物、盐或前药。还提供了含有式（I）的化合物的药物组合物。
• IMIDAZOPYRIMIDINES AND USES THEREOF
  申请人：Deadman John Joseph

  公开号：US20110028487A1

  公开（公告）日：2011-02-03

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. The present invention further provides a method of treatment or prophylaxis of a viral infection in a subject comprising administering to said subject an effective amount of a compound of formula (I) or a pharmaceutically acceptable derivative, salt or prodrug thereof. Pharmaceutical compositions comprising a compound of formula (I) are also provided.

  本发明提供了式（I）化合物或其药学上可接受的衍生物、盐或前药。本发明还提供了一种治疗或预防受体内病毒感染的方法，包括向该受体内注射有效量的式（I）化合物或其药学上可接受的衍生物、盐或前药。还提供了包括式（I）化合物的制药组合物。
• IMIDAZOPYRIMIDINONES AND USES THEREOF
  申请人：Avexa Limited

  公开号：EP2291377A1

  公开（公告）日：2011-03-09
• US8431581B2
  申请人：——

  公开号：US8431581B2

  公开（公告）日：2013-04-30
• Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide
  作者：Yoshikazu Uto、Tsuneaki Ogata、Jun Harada、Yohei Kiyotsuka、Yuko Ueno、Yuriko Miyazawa、Hitoshi Kurata、Tsuneo Deguchi、Nobuaki Watanabe、Toshiyuki Takagi、Satoko Wakimoto、Ryo Okuyama、Manabu Abe、Nobuya Kurikawa、Sayako Kawamura、Michiko Yamato、Jun Osumi

  DOI：10.1016/j.bmcl.2009.05.119

  日期：2009.8

  A series of structurally novel stearoyl-CoA desaturase-1 (SCD-1) inhibitors has been identified by optimizing a hit from our corporate library. Preliminary structure-activity relationship (SAR) studies led to the discovery of the highly potent and orally bioavailable thiazole-based SCD-1 inhibitor, 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide (23a). (C) 2009 Elsevier Ltd. All rights reserved.