dimethyl 2-(3-cyclohexylureido)benzene-1,4-dioate | 313386-92-4

• 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: dimethyl 2-(3-cyclohexylureido)benzene-1,4-dioate
• 英文别名: 2-(3-cyclohexyl-ureido)-terephthalic acid dimethyl ester；Dimethyl 2-[(cyclohexylcarbamoyl)amino]benzene-1,4-dicarboxylate；dimethyl 2-(cyclohexylcarbamoylamino)benzene-1,4-dicarboxylate
• CAS: 313386-92-4
• 化学式: C₁₇H₂₂N₂O₅
• 分子量: 334.372
• InChiKey: NIUAUPCWIBZGDK-UHFFFAOYSA-N

物化性质

• 沸点：
  471.5±45.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  93.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  dimethyl 2-(3-cyclohexylureido)benzene-1,4-dioate 以 甲醇 、 sodium hydroxide 为溶剂， 以0.80 g (53%)的产率得到3-cyclohexyl-2,4-dioxoquinazoline-7-carboxylic acid
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITIONS CONTAINING QUINAZOLINE DERIVATIVES FOR TREATING AS SEROTONIN RECEPTOR ANTAGONIST

  摘要：

  本发明涉及一种药物组合物，其包含一种或多种喹唑啉化合物作为活性成分，具有对5-HT3A血清素拮抗活性，并且对预防和治疗中枢神经系统（CNS）疾病有效，包括呕吐、恶心、酗酒、药物滥用、抑郁症、强迫神经症、焦虑、癫痫、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、精神病、精神分裂症、自杀倾向、睡眠障碍、食欲障碍和偏头痛。

  公开号：

  US20090054433A1
• 作为产物：
  描述：

  2-氨基对苯二甲酸二甲酯 在 三乙胺 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 66.0h， 生成 dimethyl 2-(3-cyclohexylureido)benzene-1,4-dioate
  参考文献：
  名称：

  Novel T-type calcium channel blockers: Dioxoquinazoline carboxamide derivatives

  摘要：

  T-type calcium channel is one of therapeutic targets for the treatment of cardiovascular diseases and neuropathic pains. Since the withdrawal of mibefradil, a T-type calcium channel blocker, there have been a lot of efforts to develop T-type calcium channel blockers. A small molecule library of dioxoquinazoline carboxamide derivatives containing 155 compounds was designed, synthesized, and biologically evaluated for T-type calcium channel blocking activity. Among those compounds synthesized, the compound In shows the most potent T-type calcium current blocking activity with an IC50 value of 1.52 mu M, which is comparable to that of mibefradil. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.09.051

文献信息

• PHARMACEUTICAL COMPOSITIONS CONTAINING QUINAZOLINE DERIVATIVES FOR TREATING AS SEROTONIN RECEPTOR ANTAGONIST
  申请人：NAM Ghil Soo

  公开号：US20090054433A1

  公开（公告）日：2009-02-26

  The present invention relates to a pharmaceutical composition containing one or more quinazoline compounds as an active ingredient, which has antagonistic activity against serotonin 5-HT 3 A and is effective for the prevention and treatment of central nervous system (CNS) diseases, including emesis, nausea, alcoholism, drug abuse, depression, compulsive neurosis, anxiety, seizure, Alzheimer's disease, Parkinson's disease, Huntington's chorea, psychosis, schizophrenia, suicidal tendency, sleep disorder, appetite disorder and migraine.

  本发明涉及一种药物组合物，其包含一种或多种喹唑啉化合物作为活性成分，具有对5-HT3A血清素拮抗活性，并且对预防和治疗中枢神经系统（CNS）疾病有效，包括呕吐、恶心、酗酒、药物滥用、抑郁症、强迫神经症、焦虑、癫痫、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、精神病、精神分裂症、自杀倾向、睡眠障碍、食欲障碍和偏头痛。
• WO2008/7835
  申请人：——

  公开号：——

  公开（公告）日：——
• US8748422B2
  申请人：——

  公开号：US8748422B2

  公开（公告）日：2014-06-10
• [EN] 2,4-QUINAZOLINE DERIVATIVES HAVING ACTIVITY TO T-TYPE CALCIUM CHANNEL AND PREPARATION METHOD THEREOF<br/>[FR] DÉRIVÉS 2,4-QUINAZOLINE À ACTIVITÉ SUR LE CANAL CALCIQUE DE TYPE T ET PROCÉDÉ D'ÉLABORATION
  申请人：KOREA INST SCI & TECH

  公开号：WO2008007835A1

  公开（公告）日：2008-01-17

  [EN] Disclosed are 2,4-dioxo-quinazoline derivative compounds of Formula 1 which is a selective antagonist with respect to a T-type calcium channel and can be developed as a drug for neurogenic pains, epilepsy or hypertension, and a preparation method thereof.
  [FR] Composés de dérivés 2,4-quinazoline de formule I tenant lieu d'antagonistes sélectifs vis-à-vis d'un canal calcique de type T et susceptibles d'être développés comme médicaments pour les douleurs neurogéniques, l'épilepsie ou l'hypertension, et procédé d'élaboration.
• Novel T-type calcium channel blockers: Dioxoquinazoline carboxamide derivatives
  作者：Mi Na Jo、Hee Jeong Seo、Yoonji Kim、Seon Hee Seo、Hyewhon Rhim、Yong Seo Cho、Joo Hwan Cha、Hun Yeong Koh、Hyunah Choo、Ae Nim Pae

  DOI：10.1016/j.bmc.2006.09.051

  日期：2007.1.1

  T-type calcium channel is one of therapeutic targets for the treatment of cardiovascular diseases and neuropathic pains. Since the withdrawal of mibefradil, a T-type calcium channel blocker, there have been a lot of efforts to develop T-type calcium channel blockers. A small molecule library of dioxoquinazoline carboxamide derivatives containing 155 compounds was designed, synthesized, and biologically evaluated for T-type calcium channel blocking activity. Among those compounds synthesized, the compound In shows the most potent T-type calcium current blocking activity with an IC50 value of 1.52 mu M, which is comparable to that of mibefradil. (c) 2006 Elsevier Ltd. All rights reserved.