2-amino-4-(4-methoxybenzyl)imidazole | 862254-38-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-amino-4-(4-methoxybenzyl)imidazole
• 英文别名: 5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-amine
• CAS: 862254-38-4
• 化学式: C₁₁H₁₃N₃O
• 分子量: 203.244
• InChiKey: BIQNLQMDFRVKMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氰胺 、 1-amino-3-(4-methoxyphenyl)propan-2-one hydrochloride 以 乙醇 为溶剂， 反应 3.0h， 生成 2-amino-4-(4-methoxybenzyl)imidazole
  参考文献：
  名称：

  [EN] MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF
  [FR] MODULATEURS DU RECEPTEUR GLUCOCORTICOIDE AP-1, ET/OU DE L'ACTIVITE DE NF- DOLLAR G(K)B, ET LEUR UTILISATION

  摘要：

  提供了一类新型非类固醇化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-ĸB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫性疾病，其结构如公式（I）所示，其立体异构体，或其溶剂化物，或其前药，或其药用可接受盐，其中Z为CONR1R2或CH2NR1R2，其中至少一个X1-X8为N，R、Ra、Rb、Rc和Rd在此处定义。还提供了包含所述化合物的药物组合物和治疗肥胖、糖尿病和炎症或免疫相关疾病的方法。

  公开号：

  WO2005072732A1

文献信息

• Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof
  申请人：Duan Jingwu

  公开号：US20070185056A1

  公开（公告）日：2007-08-09

  Novel non-steroidal compounds are provided that are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases having the structure of formula (I): or enantiomers, diastereomers, or a pharmaceutically-acceptable salt, or hydrate, thereof, where X is -A 1 QA 2 -; Q is a bond, —C(═O)—, —OC(O)—, —C(═O)NR 5 —, —SO p —, —SO p NR 5 —, —C(O)O—, —NR 5 C(O)—, —OC(O)NR 5 —, —NR 5 C(O)O—, —S(O) p NR 5 C(O)—, —C(O)NR 5 S(O) p — —NR 5 S(O) p —, or —NR 5 C(═O)NR 6 —. Y is selected from hydrogen, C 1-4 alkyl, OR 16 , substituted C 1-6 alkyl, cycloalkyl, aryl, heterocyclo and heteroaryl. A 1 and A 2 are independently selected from a bond, C 1-3 alkylene, or C 1-3 alkenylene, and R 1 -R 11 are defined herein. Also provided are pharmaceutical compositions, combinations, and methods of treating obesity, diabetes and inflammatory- or immune-associated diseases comprising said compounds.

  提供了一种新型的非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症性和免疫性疾病，其具有以下结构的化学式（I）： 或其对映体、非对映体、药用可接受的盐或水合物，其中X为-A 1 QA 2 -；Q为键，—C(═O)—，—OC(O)—，—C(═O)NR 5 —，—SO p —，—SO p NR 5 —，—C(O)O—，—NR 5 C(O)—，—OC(O)NR 5 —，—NR 5 C(O)O—，—S(O) p NR 5 C(O)—，—C(O)NR 5 S(O) p —，—NR 5 S(O) p —，或—NR 5 C(═O)NR 6 —。Y从氢、C 1-4 烷基、OR 16 、取代的C 1-6 烷基、环烷基、芳基、杂环烷基和杂芳基中选择。A 1 和A 2 独立选择自键、C 1-3 烷基或C 1-3 烯基，R 1 -R 11 在此定义。还提供了包含所述化合物的药物组合物、组合物和治疗肥胖、糖尿病和炎症性或免疫相关疾病的方法。
• Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof
  申请人：Sheppeck James

  公开号：US20060154973A1

  公开（公告）日：2006-07-13

  The present invention relates to new class of non-steroidal compounds which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory- and immune-associated diseases, and have the structure including all stereoisomers thereof, tautomers thereof, or a prodrug thereof, or a pharmaceutically acceptable salt thereof, wherein X is selected from N, O, and S; Y is N or CR 6 ; Z is a ring; and where R, R a , R b , R c , R d , R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  本发明涉及一类新的非甾体化合物，用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫相关疾病，并具有结构，包括其所有立体异构体、互变异构体或前药，或其药用可接受盐，其中X选自N、O和S；Y为N或CR6；Z为一个环；R、Ra、Rb、Rc、Rd、R1、R2、R3、R4和R5如本文所定义。还提供了包含所述化合物的药物组合物和治疗肥胖、糖尿病以及炎症或免疫相关疾病的方法。
• [EN] HETEROCYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF<br/>[FR] MODULATEURS HETEROCYCLIQUES DU RECEPTEUR GLUCOCORTICOIDE AP-1, ET/OU ACTIVITE NF-20050811US5569655ADORITY JR JOHN A [US], et al19961029AASee references of EP 1711488A4
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005073221A1

  公开（公告）日：2005-08-11

  Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases, and have the structure of Formula (I) or stereoisomers or prodrugs or solvates or pharmaceutically acceptable salts thereof, wherein A, B, J, K, Z, R, Ra, Rb, Rc, and Rd, are defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  提供了一种新型的非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖、糖尿病、炎症和免疫性疾病，并具有如下结构的化学式（I）或其立体异构体、前药、溶剂合物或其药用可接受的盐，其中A、B、J、K、Z、R、Ra、Rb、Rc和Rd在此有所定义。还提供了包含该化合物的药物组合物和治疗肥胖、糖尿病以及炎症或免疫相关疾病的方法。
• INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Duan Jingwu

  公开号：US20090325961A1

  公开（公告）日：2009-12-31

  Novel non-steroidal compounds are provided that are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases having the structure of formula (I): or enantiomers, diastereomers, or a pharmaceutically-acceptable salt, or hydrate, thereof, where X is A 1 QA 2 -; Q is a bond, —C(═O)—, —OC(O)—, —C(═O)NR 5 —, —SO p —, —SO p NR 5 —, —C(O)O—, —NR 5 C(O)—, —OC(O)NR 5 —, —NR 5 C(O)O—, —S(O) p NR 5 C(O)—, —C(O)NR 5 S(O) p — —NR 5 S(O) p —, or —NR 5 C(═O)NR 6 —. Y is selected from hydrogen, C 1-6 alkyl, OR 16 , substituted C 1-6 alkyl, cycloalkyl, aryl, heterocyclo and heteroaryl. A 1 and A 2 are independently selected from a bond, C 1-3 alkylene, or C 1-3 alkenylene, and R 1 -R 11 are defined herein. Also provided are pharmaceutical compositions, combinations, and methods of treating obesity, diabetes and inflammatory- or immune-associated diseases comprising said compounds.

  本发明提供了一些新型非类固醇化合物，其可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节有关的疾病，包括肥胖症、糖尿病、炎症和免疫性疾病，其结构式为(I)：或其对映异构体、顺异构体或药学上可接受的盐或水合物，其中X为A1QA2-；Q为键，—C（═O）—，—OC（O）—，—C（═O）NR5—，—SOp—，—SOpNR5—，—C（O）O—，—NR5C（O）—，—OC（O）NR5—，—NR5C（O）O—，—S（O）pNR5C（O）—，—C（O）NR5S（O）p—，—NR5S（O）p—或—NR5C（═O）NR6—。Y选自氢、C1-6烷基、OR16、取代的C1-6烷基、环烷基、芳基、杂环烷基和杂环芳基。A1和A2独立地选自键、C1-3烷基或C1-3烯基，R1-R11在此定义。还提供了包含上述化合物的药物组合物和治疗肥胖症、糖尿病和炎症或免疫相关疾病的方法。
• INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF
  申请人：Bristol-Myers Squibb Company

  公开号：EP1973890A2

  公开（公告）日：2008-10-01