1-trityl-1H-imidazole-2-carboxylic acid ethyl ester | 67478-49-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-trityl-1H-imidazole-2-carboxylic acid ethyl ester
• 英文别名: 1-Trityl-2-ethoxycarbonylimidazol；2-Imidazolic acid, 1-triphenylmethyl-, ethyl ester；ethyl 1-tritylimidazole-2-carboxylate
• CAS: 67478-49-3
• 化学式: C₂₅H₂₂N₂O₂
• 分子量: 382.462
• InChiKey: WXKHVHRUIPAFBN-UHFFFAOYSA-N

物化性质

• 熔点：
  204.5-206.5 °C
• 沸点：
  554.7±60.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-trityl-1H-imidazole-2-carboxylic acid ethyl ester 在 lithium aluminium tetrahydride 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 2-(hydroxymethyl)-1-tritylimidazole
  参考文献：
  名称：

  SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING ß-SECRETASE-INHIBITING ACTIVITY

  摘要：

  公开号：

  EP2305672B1
• 作为产物：
  描述：

  1-trityl-2-lithioimidazole 、 氯甲酸乙酯 以90%的产率得到
  参考文献：
  名称：

  KIRK K. L., J. ORG. CHEM., 1978, 43, NO 22, 4381-4383

  摘要：

  DOI：

文献信息

• SULFUR-CONTAINING HETEROCYCLIC DERIVATIVE HAVING BETA SECRETASE INHIBITORY ACTIVITY
  申请人：Shionogi & Co., Ltd.

  公开号：US20160108052A1

  公开（公告）日：2016-04-21

  The following compound is provided as an agent for treating a disease induced by production, secretion and/or deposition of amyloid β protein, for example, a compound represented by the formula (I): wherein ring A is an optionally substituted carbocyclic group or an optionally substituted heterocyclic group, R 1 is optionally substituted lower alkyl or the like, R 2a and R 2b are each independently hydrogen, optionally substituted lower alkyl or the like, R 3a and R 3c are each independently hydrogen, halogen, hydroxy, optionally substituted lower alkyl or the like, or a pharmaceutically acceptable salt thereof, or a solvate thereof.

  以下化合物作为治疗由淀粉样β蛋白的产生、分泌和/或沉积引起的疾病的药剂，例如由式(I)表示的化合物：其中环A是可选取代的碳环基或可选取代的杂环基，R1是可选取代的低碳基或类似物，R2a和R2b各自独立地是氢、可选取代的低碳基或类似物，R3a和R3b各自独立地是氢、卤素、羟基、可选取代的低碳基或类似物，或其药学上可接受的盐或溶剂。
• Indole derivatives having an antiviral activity
  申请人：——

  公开号：US20030181499A1

  公开（公告）日：2003-09-25

  A compound of the formula: 1 wherein R 1 is hydrogen, lower alkyl, or optionally substituted arylsulfonyl, or the like, R 2 is hydrogen, lower alkyl, or optionally substituted aralkyl, or the like, R 3 , R 4 , R 5 , and R 6 each is independently hydrogen, halogen, trihalogenated lower alkyl, or the like, X is hydroxy or optionally substituted amino, Y is COOR (E is hydrogen or an ester residue), optionally substituted aryl, or optionally substituted heteroaryl, has integrase inhibition activity, and is useful as an anti-HIV drug.

  该化合物的公式为1，其中R1为氢、较低的烷基、或可选取代的芳基磺酰基等；R2为氢、较低的烷基、或可选取代的芳基烷基等；R3、R4、R5和R6分别独立地为氢、卤素、三卤代较低的烷基等；X为羟基或可选取代的氨基；Y为COOR（E为氢或酯基残基）、可选取代的芳基或可选取代的杂环基。该化合物具有整合酶抑制活性，可用作抗HIV药物。
• Heteroaromatic derivatives having an inhibitory activity against HIV integrase
  申请人：——

  公开号：US20040002485A1

  公开（公告）日：2004-01-01

  A compound of the formula (I): 1 wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is —COOR A wherein R A is hydrogen or ester residue, —CONR B R C wherein R B and R C each is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A 1 is optionally substituted heteroaryl; provided that a compound wherein Y and/or A 1 is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.

  式(I)的化合物：其中X为羟基，保护羟基或可选取代的氨基；Y为—COORA，其中RA为氢或酯基残基，—CONRBRC，其中RB和RC各自独立地为氢或酰胺基残基，可选取代的芳基或可选取代的杂芳基；且A1为可选取代的杂芳基；但其中Y和/或A1为可选取代的吲哚-3-基的化合物被排除，其互变异构体、前药、药物可接受的盐或水合物具有对整合酶的抑制活性。
• INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1069111A1

  公开（公告）日：2001-01-17

  A compound of the formula: wherein R1 is hydrogen,lower alkyl, or optionally substituted arylsulfonyl, or the like, R2 is hydrogen, lower alkyl, or optionally substituted aralkyl, or the like, R3, R4, R5, and R6 each is independently hydrogen, halogen, trihalogenated lower alkyl, or the like, X is hydroxy or optionally substituted amino, Y is COOR (R is hydrogen or an ester residue), optionally substituted aryl, or optionally substituted heteroaryl, has intense integrase inhibition activity, and is useful as an anti-HIV drug.

  式中的化合物： 式中 R1 是氢、低级烷基或任选取代的芳基磺酰基或类似物、 R2 是氢、低级烷基或任选取代的芳烷基或类似物、 R3、R4、R5 和 R6 各自独立地为氢、卤素、三卤代低级烷基或类似物、 X 是羟基或任选取代的氨基、 Y 是 COOR（R 是氢或酯残基）、任选取代的芳基或任选取代的杂芳基、 具有强烈的整合酶抑制活性，可用作抗艾滋病毒药物。
• AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1142872A1

  公开（公告）日：2001-10-10

  A compound of the formula (I): wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is COORA wherein RA is hydrogen or ester residue, -CONRBRC wherein RB and RC each is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A1 is optionally substituted heteroaryl; provided that a compound wherein Y and/or A1 is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.

  一种式（I）化合物： 其中 X 是羟基、受保护的羟基或任选取代的氨基；Y 是 COORA（其中 RA 是氢或酯残基）、-CONRBRC（其中 RB 和 RC 各自独立地是氢或酰胺残基）、任选取代的芳基或任选取代的杂芳基；以及 A1 是任选取代的杂芳基；条件是其中 Y 和/或 A1 是任选取代的吲哚-3-基的化合物除外，其同分异构体、原药、药学上可接受的盐或水合物对整合酶具有抑制活性。