methyl 4'-{[(3-aminopyridin-2-yl)amino]methyl}-biphenyl-2-carboxylate | 661485-12-7

• 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: methyl 4'-{[(3-aminopyridin-2-yl)amino]methyl}-biphenyl-2-carboxylate
• 英文别名: methyl 2-[4-[[(3-aminopyridin-2-yl)amino]methyl]phenyl]benzoate
• CAS: 661485-12-7
• 化学式: C₂₀H₁₉N₃O₂
• 分子量: 333.39
• InChiKey: DFRJHNQJAYDTHM-UHFFFAOYSA-N

物化性质

• 沸点：
  563.5±50.0 °C(Predicted)
• 密度：
  1.242±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  77.2
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  methyl 4'-{[(3-aminopyridin-2-yl)amino]methyl}-biphenyl-2-carboxylate 在 sodium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 甲醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  2,3-Diaminopyridine as a platform for designing structurally unique nonpeptide bradykinin B1 receptor antagonists

  摘要：

  A novel class of 2,3-diaminopyridine bradykinin 131 receptor antagonists is disclosed. Structure-activity relationship studies (SARs) that led to compounds with significantly improved potency and pharmacokinetic properties relative to the lead compound are described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.077
• 作为产物：
  描述：

  4'-甲基联苯-2-羧酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 sodium hydride 、 tin(ll) chloride 作用下， 以 甲醇 、 四氯化碳 、 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 4'-{[(3-aminopyridin-2-yl)amino]methyl}-biphenyl-2-carboxylate
  参考文献：
  名称：

  2,3-Diaminopyridine as a platform for designing structurally unique nonpeptide bradykinin B1 receptor antagonists

  摘要：

  A novel class of 2,3-diaminopyridine bradykinin 131 receptor antagonists is disclosed. Structure-activity relationship studies (SARs) that led to compounds with significantly improved potency and pharmacokinetic properties relative to the lead compound are described. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.02.077

文献信息

• 2-(Biarylalkyl)amino-3-(cyanoalkanoylamino)pyridine derivatives
  申请人：——

  公开号：US20040044041A1

  公开（公告）日：2004-03-04

  Compounds disclosed herein are bradykinin B1 antagonist compounds useful in the treatment or prevention of symptoms such as pain and inflammation associated with the bradykinin B1 pathway.

  本文披露的化合物是布雷金肽B1拮抗剂化合物，可用于治疗或预防与布雷金肽B1途径相关的疼痛和炎症症状。
• 2-(biarylalkyl)amino-3-(alkanoylamino)pyridine derivatives
  申请人：——

  公开号：US20040034064A1

  公开（公告）日：2004-02-19

  Compounds disclosed herein are bradykinin B1 antagonist compounds useful in the treatment or prevention of symptoms such as pain and inflammation associated with the bradykinin B1 pathway.

  本文披露的化合物是布雷金肽B1拮抗剂化合物，可用于治疗或预防与布雷金肽B1途径相关的症状，如疼痛和炎症。
• 2,3-Diaminopyridine as a platform for designing structurally unique nonpeptide bradykinin B1 receptor antagonists
  作者：Dong-Mei Feng、Jenny M. Wai、Scott D. Kuduk、Christina Ng、Kathy L. Murphy、Richard W. Ransom、Duane Reiss、Raymond S.L. Chang、Charles M. Harrell、Tanya MacNeil、Cuyue Tang、Thomayant Prueksaritanont、Roger M. Freidinger、Douglas J. Pettibone、Mark G. Bock

  DOI：10.1016/j.bmcl.2005.02.077

  日期：2005.5

  A novel class of 2,3-diaminopyridine bradykinin 131 receptor antagonists is disclosed. Structure-activity relationship studies (SARs) that led to compounds with significantly improved potency and pharmacokinetic properties relative to the lead compound are described. (c) 2005 Elsevier Ltd. All rights reserved.