5-Amino-4-carboxamido-2-n-propylimidazol | 90521-73-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Amino-4-carboxamido-2-n-propylimidazol
• 英文别名: 5-amino-2-propyl-1(3)H-imidazole-4-carboxylic acid amide；4-Amino-2-propyl-1h-imidazole-5-carboxamide
• CAS: 90521-73-6
• 化学式: C₇H₁₂N₄O
• 分子量: 168.198
• InChiKey: AAFMSFJJKBSUQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  97.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-Amino-4-carboxamido-2-n-propylimidazol 、 亚硝酸 以38%的产率得到
  参考文献：
  名称：

  LUNT E.; NEWTON CH. G.; SMITH CH.; STEVENS G. P.; STEVENS M. F. G.; STRAW+, J. MED. CHEM., 30,(1987) N 2, 357-366

  摘要：

  DOI：

文献信息

• Purine compounds having PDE IV inhibitory activity and methods of synthesis
  申请人：——

  公开号：US20030073834A1

  公开（公告）日：2003-04-17

  The present invention comprises compounds having the general formula I: 1 wherein: Y 1 is N or CH Z is selected from the group consisting of alkyl groups such as alkylene groups such as CH 2 , CH 2 CH 2 , CH(CH 3 ); alkenyl groups such as CH═CH; alkynyl groups such as C≡C; and NH, N(C 1 -C 3 alkyl), O, S, C(O)CH 2 and OCH 2 ; R 1 and R 2 are selected from the group consisting of hydrogen and a C 1 -C 8 straight or branched alkyl or a C 3 -C 8 cycloalkyl; R 3 is a C 1 -C 12 straight or branched alkyl; R 4 is a C 3 -C 10 cycloalkyl optionally substituted with OH or C 3 -C 10 cycloalkenyl optionally substituted with OH; and R 8 is a C 1 -C 8 straight or branched alkyl or a C 3 -C 8 cycloalkyl, optionally substituted with OH; and methods of synthesis.

  本发明包括具有通式 I 的化合物： 1 其中 Y 1 是 N 或 CH Z 选自由烷基（如亚烷基，如 CH 2 、CH 2 CH 2 , CH(CH 3 ）；烯基，如 CH&boxH；CH；炔基，如 C≡C；以及 NH、N（C 1 -C 3 烷基）、O、S、C(O)CH 2 和 OCH 2 ; R 1 和 R 2 选自氢和 C 1 -C 8 直链或支链烷基或 C 3 -C 8 环烷基； R 3 是 C 1 -C 12 直链或支链烷基； R 4 是 C 3 -C 10 环烷基，可选择被 OH 或 C 3 -C 10 可选择被 OH 取代的环烯基；以及 R 8 是一个 C 1 -C 8 直链或支链烷基或 C 3 -C 8 环烷基，可选择被 OH 取代； 以及合成方法。
• LUNT E.; NEWTON CH. G.; SMITH CH.; STEVENS G. P.; STEVENS M. F. G.; STRAW+, J. MED. CHEM., 30,(1987) N 2, 357-366
  作者：LUNT E.、 NEWTON CH. G.、 SMITH CH.、 STEVENS G. P.、 STEVENS M. F. G.、 STRAW+

  DOI：——

  日期：——
• PURINE COMPOUNDS HAVING PDE IV INHIBITORY ACTIVITY AND METHODS OF SYNTHESIS
  申请人：Euro-Celtique S.A.

  公开号：EP1045850A1

  公开（公告）日：2000-10-25
• EP1045850A4
  申请人：——

  公开号：EP1045850A4

  公开（公告）日：2001-10-31
• Method of defining genus of chemical compound and method of designing molecules
  申请人：——

  公开号：US20020028469A1

  公开（公告）日：2002-03-07

  In accordance with an embodiment of the present invention, a method is provided for defining the portion of one or more chemical compounds having binding affinity for a target receptor. One or more chemical compounds to be tested are identified and then one or more key component fragments of the compound(s) are identified (e.g., a compound that “generically” defines the surface conformation and surface charge density of the one or more chemical compounds is “designed”) which may impart affinity for the target receptor. Analogs containing one or more of the key component fragments are then identified or synthesized, and the analogs are coupled to a carrier to construct an analog-carrier conjugate. The analogs contain one or more functional groups such as carboxyl, hydroxyl, keto, amino, nitro, or sulfhydryl to react with the carrier molecule. Next, the analog-carrier conjugate is utilized to generate a panel of monoclonal antibodies in vivo or in vitro, wherein the monoclonal antibodies are capable of defining the characteristics of the key component fragments. Next, the monoclonal antibodies are assayed to determine which are most specific for the key component fragments of the chemical compound(s) and which bind to the chemical compound(s). Competitive binding assays, or other assays are then preferably conducted to determine the ability of the monoclonal antibodies to discriminate between different chemical compounds.