(4-苯基-1,3-噻唑-2-基)氨基甲酸苯酯 | 71576-06-2

• 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-苯基-1,3-噻唑-2-基)氨基甲酸苯酯
• 英文名称: phenyl (4-phenyl-1,3-thiazol-2-yl)carbamate
• 英文别名: Carbamic acid, (4-phenyl-2-thiazolyl)-, phenyl ester；phenyl N-(4-phenyl-1,3-thiazol-2-yl)carbamate
• CAS: 71576-06-2
• 化学式: C₁₆H₁₂N₂O₂S
• mdl: MFCD00828055
• 分子量: 296.349
• InChiKey: MTXPTQRTULVZAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-苯基-5-哌嗪基-1,2,4-噻二唑 、 (4-苯基-1,3-噻唑-2-基)氨基甲酸苯酯 以 二甲基亚砜 为溶剂， 以100%的产率得到4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-phenylthiazol-2-yl)piperazine-1-carboxamide
  参考文献：
  名称：

  Thiadiazolopiperazinyl ureas as inhibitors of fatty acid amide hydrolase

  摘要：

  A series of thiadiazolopiperazinyl aryl urea fatty acid amide hydrolase ( FAAH) inhibitors is described. The molecules were found to inhibit the enzyme by acting as mechanism-based substrates, forming a covalent bond with Ser241. SAR and PK properties are presented. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.081
• 作为产物：
  描述：

  2-氨基-4-苯基噻唑 、 氯甲酸苯酯 在 吡啶 作用下， 生成 (4-苯基-1,3-噻唑-2-基)氨基甲酸苯酯
  参考文献：
  名称：

  Aryl urea derivatives of spiropiperidines as NPY Y5 receptor antagonists

  摘要：

  Continuing medicinal chemistry studies to identify spiropiperidine-derived NPY Y5 receptor antagonists are described. Aryl urea derivatives of a variety of spiropiperidines were tested for their NPY Y5 receptor binding affinities. Of the spiropiperidines so far examined, spiro[3-oxoisobenzofurane-1(3H),4 '-piperidine] was a useful scaffold for producing orally active NPY Y5 receptor antagonists. Oral administration of 5c significantly inhibited the Y5 agonist-induced food intake in rats with a minimum effective dose of 3 mg/kg. In addition, this compound was efficacious in decreasing body weight in diet-induced obese mice. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.013

文献信息

• Heterocyclic Compounds as Ccr2b antagonists
  申请人：Bower Justin Fairfield

  公开号：US20090099156A1

  公开（公告）日：2009-04-16

  Compounds of formula (I) Q-L-W—C(═X)-Z-P wherein Q is an amine of the formula —N(R 1 )(R 2 ); L is an alkyl or heterocyclyl-alkyl linker; W is a 6- or 7-membered aliphatic ring comprising ring atoms Y 1 and Y 2 which are linked to groups L and C(X) respectively and Y 1 and Y 2 are independently selected from N and C; X is O, N, N—CN or S; Z is NR 3 ; P is an optionally substituted monocyclic or bicyclic aryl or heteroaryl group; and pharmaceutically acceptable salts or solvates thereof, are useful in the treatment of C-C chemokine mediated conditions.

  化合物的公式（I）Q-L-W—C（═X）-Z-P，其中Q是公式—N（R1）（R2）的胺基；L是烷基或杂环基烷基连接物；W是由环原子Y1和Y2组成的6-或7-成员脂肪环，其中Y1和Y2分别与基团L和C（X）连接，并且Y1和Y2分别独立地从N和C中选出；X是O、N、N—CN或S；Z是NR3；P是可选取代的单环或双环芳基或杂芳基基团；以及其药学上可接受的盐或溶剂，可用于治疗C-C趋化因子介导的疾病。
• Heterocyclic Compounds as CCR2 Antagonists
  申请人：Bower Justin Fairfield

  公开号：US20120264762A1

  公开（公告）日：2012-10-18

  Compounds of formula (I) Q-L-W—C(═X)—Z—P wherein Q is an amine of the formula —N(R 1 )(R 2 ); L is an alkyl or heterocyclyl-alkyl linker; W is a 6- or 7-membered aliphatic ring comprising ring atoms Y 1 and Y 2 which are linked to groups L and C(X) respectively and Y 1 and Y 2 are independently selected from N and C; X is O, N, N—CN or S; Z is NR 3 ; P is an optionally substituted monocyclic or bicyclic aryl or heteroaryl group; and pharmaceutically acceptable salts or solvates thereof, are useful in the treatment of C—C chemokine mediated conditions.

  化合物的式子为(I)Q-L-W—C(═X)—Z—P，其中Q是公式—N(R1)(R2)的胺基；L是烷基或杂环烷基-烷基连接物；W是一个6-或7-成员的脂肪环，包括环原子Y1和Y2，它们分别与基团L和C(X)相连，Y1和Y2独立地选自N和C；X是O、N、N—CN或S；Z是NR3；P是一个可选择取代的单环或双环芳基或杂芳基基团；以及其药学上可接受的盐或溶剂，用于治疗C-C趋化因子介导的疾病。
• HETEROCYCLIC COMPOUNDS AS CCR2B ANTAGONISTS
  申请人：AstraZeneca AB

  公开号：US20140038978A1

  公开（公告）日：2014-02-06

  Compounds of formula (I) Q-L-W—C(═X)—Z—P wherein Q is an amine of the formula —N(R 1 )(R 2 ); L is an alkyl or heterocyclyl-alkyl linker; W is a 6- or 7-membered aliphatic ring comprising ring atoms Y 1 and Y 2 which are linked to groups L and C(X) respectively and Y 1 and Y 2 are independently selected from N and C; X is O, N, N—CN or S; Z is NR 3 ; P is an optionally substituted monocyclic or bicyclic aryl or heteroaryl group; and pharmaceutically acceptable salts or solvates thereof, are useful in the treatment of C—C chemokine mediated conditions.

  化合物的公式为(I)Q-L-W—C(═X)—Z—P，其中Q是公式—N(R1)(R2)的胺基；L是烷基或杂环烷基-烷基连接物；W是一个6-或7-成员的脂肪环，包括环原子Y1和Y2，它们分别与基团L和C(X)连接，并且Y1和Y2独立地选自N和C；X是O、N、N—CN或S；Z是NR3；P是可选取代的单环或双环芳基或杂芳基；以及其药学上可接受的盐或溶剂，用于治疗C-C趋化因子介导的疾病。
• US7906645B2
  申请人：——

  公开号：US7906645B2

  公开（公告）日：2011-03-15
• Thiadiazolopiperazinyl ureas as inhibitors of fatty acid amide hydrolase
  作者：John M. Keith、Richard Apodaca、Wei Xiao、Mark Seierstad、Kanaka Pattabiraman、Jiejun Wu、Michael Webb、Mark J. Karbarz、Sean Brown、Sandy Wilson、Brian Scott、Chui-Se Tham、Lin Luo、James Palmer、Michelle Wennerholm、Sandra Chaplan、J. Guy Breitenbucher

  DOI：10.1016/j.bmcl.2008.07.081

  日期：2008.9

  A series of thiadiazolopiperazinyl aryl urea fatty acid amide hydrolase ( FAAH) inhibitors is described. The molecules were found to inhibit the enzyme by acting as mechanism-based substrates, forming a covalent bond with Ser241. SAR and PK properties are presented. (C) 2008 Elsevier Ltd. All rights reserved.