2-chloro-5-(thiazol-2-ylamino)phenol | 876314-61-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-chloro-5-(thiazol-2-ylamino)phenol
• 英文别名: 2-Chloro-5-(thiazol-2-ylamino)phenol；2-chloro-5-(1,3-thiazol-2-ylamino)phenol
• CAS: 876314-61-3
• 化学式: C₉H₇ClN₂OS
• 分子量: 226.686
• InChiKey: TXAPYKGIUYVDKU-UHFFFAOYSA-N

物化性质

• 沸点：
  368.8±52.0 °C(Predicted)
• 密度：
  1.525±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-5-(thiazol-2-ylamino)phenol 、 2-甲基苄溴 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 反应 3.0h， 以58%的产率得到N-(3-(2-methylbenzyloxy)-4-chlorophenyl)thiazol-2-amine
  参考文献：
  名称：

  WO2007/38387

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氯-5-硝基苯酚 在 盐酸 、 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 生成 2-chloro-5-(thiazol-2-ylamino)phenol
  参考文献：
  名称：

  Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase

  摘要：

  Following computational analyses, potential non-nucleoside inhibitors of HIV-1 reverse transcriptase have been pursued through synthesis and assaying for anti-viral activity. The general class Het-NH-Ph-U has been considered, where Het is an aromatic heterocycle and U is an unsaturated, hydrophobic group. Results for compounds with Het = 2-thiazoyl and 2-pyrimidinyl are the focus of this report. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.037

文献信息

• Compounds and Methods for the Treatment of Viruses and Cancer
  申请人：Jorgensen William L.

  公开号：US20100222352A1

  公开（公告）日：2010-09-02

  The present invention relates to compounds according to the formula I: Where R a is H or an optionally OH-substituted C 1 -C 3 alkyl; R 1 is OR 1 , an optionally substituted C 4-12 carbocyclic group which may be saturated or unsaturated (including aromatic) or an optionally substituted heterocyclic group; R 1 is an optionally substituted C 1 -C 14 hydrocarbyl group or an optionally substituted heterocyclic group; R 2 , R 3 and R 4 are each independently H, an optionally substituted C 1 -C 4 alkyl group (preferably CH 3 , CH 2 CH 3 or CF 3 ), halogen (preferably F, Cl, Br), OR, CN, NO 2 , a C 1 -C 6 thioether, a C 1 -C 6 thioester group, an optionally substituted CO 2 R group, an optionally substituted COR group or an optionally substituted OCOR group (preferably R 4 is H); R is H or an optionally substituted C 1 -C 6 alkyl group; RHET is an optionally substituted heterocyclic group; and pharmaceutically acceptable salts, solvates or polymorphs thereof.

  本发明涉及公式I的化合物：其中R为H或可选择的OH取代的C1-C3烷基; R1为OR1，可选择取代的C4-12碳环基，可饱和或不饱和（包括芳香族）或可选择取代的杂环基; R1为可选择取代的C1-C14烃基或可选择取代的杂环基; R2、R3和R4各自独立地为H、可选择取代的C1-C4烷基（优选为CH3、CH2CH3或CF3）、卤素（优选为F、Cl、Br）、OR、CN、NO2、C1-C6硫醚、C1-C6硫酯基、可选择取代的CO2R基团、可选择取代的COR基团或可选择取代的OCOR基团（优选R4为H）; R为H或可选择取代的C1-C6烷基; RHET为可选择取代的杂环基;以及其药学上可接受的盐、溶剂或多晶体。
• MUSCARINIC RECEPTOR ANTAGONISTS
  申请人：Kumar Naresh

  公开号：US20100222393A1

  公开（公告）日：2010-09-02

  Compounds of Formula (I), wherein represents a single bond when G is —OH and double bond when G is —O; R 1 and R 2 are independently selected from hydrogen, alkyl, alkenyl, alkynyl, aralkyl, cycloalkyl, aryl, heteroaryl, heterocyclyl, heterocyclylalkyl or heteroarylalkyl; R 3 is selected from the group selected from hydrogen, hydroxy, alkoxy, alkenyloxy or alkynyloxy; X is selected from oxygen, —NH, —NR (wherein R is alkyl, alkenyl, alkenyl, alkynyl or aryl), sulphur or no atom; Het is heterocyclyl or heteroaryl; n is an integer from 1 to 6; are muscarinic receptor antagonists, which are useful, among other uses, for the treatment of various diseases of the respiratory, urinary and 4 i gastrointestinal systems mediated through muscarinic receptors.

  式(I)的化合物，其中当G为—OH时表示单键，当G为—O时表示双键；R1和R2分别选自氢、烷基、烯基、炔基、芳基烷基、环烷基、芳基、杂芳基、杂环烷基、杂环烷基烷基或杂芳基烷基；R3选自氢、羟基、烷氧基、烯氧基或炔氧基所选的群；X选自氧、—NH、—NR（其中R为烷基、烯基、炔基、芳基或烷基芳基）、硫或无原子；Het为杂环烷基或杂芳基；n为1至6的整数。这些化合物是肌肉性乙酰胆碱受体拮抗剂，可用于治疗通过肌肉性乙酰胆碱受体介导的呼吸系统、泌尿系统和胃肠系统的各种疾病，除其他用途外。
• Compounds and methods for the treatment of viruses and cancer
  申请人：Jorgensen William L.

  公开号：US09018209B2

  公开（公告）日：2015-04-28

  The present invention relates to compounds according to the formula I: Where Ra is H or an optionally OH-substituted C1-C3 alkyl; R1 is OR1, an optionally substituted C4-12 carbocyclic group which may be saturated or unsaturated (including aromatic) or an optionally substituted heterocyclic group; R1 is an optionally substituted C1-C14 hydrocarbyl group or an optionally substituted heterocyclic group; R2, R3 and R4 are each independently H, an optionally substituted C1-C4 alkyl group (preferably CH3, CH2CH3 or CF3), halogen (preferably F, Cl, Br), OR, CN, NO2, a C1-C6 thioether, a C1-C6 thioester group, an optionally substituted CO2R group, an optionally substituted COR group or an optionally substituted OCOR group (preferably R4 is H); R is H or an optionally substituted C1-C6 alkyl group; RHET is an optionally substituted heterocyclic group; and pharmaceutically acceptable salts, solvates or polymorphs thereof.

  本发明涉及化合物I式：其中Ra为H或有选择地取代的C1-C3烷基；R1为OR1，有选择地取代的C4-12碳环基，可以是饱和或不饱和的（包括芳香族）或有选择地取代的杂环基；R1为有选择地取代的C1-C14烃基或有选择地取代的杂环基；R2、R3和R4各自独立地为H，有选择地取代的C1-C4烷基（优选为CH3、CH2CH3或CF3）、卤素（优选为F、Cl、Br）、OR、CN、NO2、C1-C6硫醚、C1-C6硫酯基、有选择地取代的CO2R基、有选择地取代的COR基或有选择地取代的OCOR基（优选为R4为H）；R为H或有选择地取代的C1-C6烷基；RHET为有选择地取代的杂环基；以及其药学上可接受的盐、溶剂或多晶形式。
• COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS
  申请人：Ray Abhijit

  公开号：US20100004215A1

  公开（公告）日：2010-01-07

  Provided herein are pharmaceutical compositions comprising one or more phosphodiesterase inhibitors of type IV (“PDE-IV”), and at least one other active ingredient such as muscarinic receptor antagonists (MRA), β2-agonists, p38 MAP Kinase inhibitors, or corticosteroids and optionally one or more pharmaceutically acceptable excipients. In addition, methods of treating autoimmune, inflammatory or allergic diseases or disorders are provided.
• US9018209B2
  申请人：——

  公开号：US9018209B2

  公开（公告）日：2015-04-28