tert-butyl [4-[2-(benzimidazol-2-yloxy)ethyl]piperazin-1-yl]carboxylate | 664340-59-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: tert-butyl [4-[2-(benzimidazol-2-yloxy)ethyl]piperazin-1-yl]carboxylate
• 英文别名: Tert-butyl [4-[2-(benzimidazol-2-yloxy)ethyl]piperazin-1-yl] carboxylate；tert-butyl 4-[2-(1H-benzimidazol-2-yloxy)ethyl]piperazine-1-carboxylate
• CAS: 664340-59-4
• 化学式: C₁₈H₂₆N₄O₃
• 分子量: 346.429
• InChiKey: ZQOFITZCMALBQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  叔丁基-4-(2-羟乙基)哌嗪-1-羧酸酯 、 sodium;hydride 、 1-苄基-2-氯苯并咪唑 在 ice 、 氯仿 、 水 、 氯化钠 、 Sodium sulfate-III 、 silica gel 、 正己烷 、 乙酸乙酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 以to provide 369 mg (yield 85%) of tert-butyl [4-[2-(benzimidazol-2-yloxy)ethyl]piperazin-1-yl]carboxylate as colorless solid的产率得到tert-butyl [4-[2-(benzimidazol-2-yloxy)ethyl]piperazin-1-yl]carboxylate
  参考文献：
  名称：

  Cyclic diamine compounds and medicine containing the same

  摘要：

  本发明提供了新型的环状二胺化合物和含有该化合物的药物组合物。本发明涉及一种由式（I）表示的化合物或其盐或溶剂（其中，在该式中，Ar为可选取代芳基；X为—NH—、氧原子或硫原子；Y为—NR1—、氧原子、硫原子、亚砜或亚磺酰基；Z为单键或—NR2—；R1为氢原子、可选取代的低碳基、可选取代的芳基或可选取代的硅烷低碳基；R2为氢原子、可选取代的低碳基、可选取代的芳基或可选取代的硅烷低碳基；l为0至15的整数；m为2或3的整数；n为0至3的整数）。本发明的化合物可用作药物组合物，特别是作为酰基辅酶A胆固醇酰基转移酶（ACAT）的抑制剂。

  公开号：

  US06969711B2

文献信息

• Novel cyclic diamine compounds and medicine containing the same
  申请人：Kowa Company, Ltd.

  公开号：US20040038987A1

  公开（公告）日：2004-02-26

  The present invention offers novel cyclic diamine compounds and a pharmaceutical composition containing the same. The present invention relates to a compound represented by the formula (I) or salt(s) or solvate(s) thereof. 1 (In the formula, 2 is an optionally substituted divalent residue of benzene, pyridine, cyclohexane or naphthalene or is a vinylene group where Ar is an optionally substituted aryl group; X is —NH—, oxygen atom or sulfur atom; Y is —NR 1 —, oxygen atom, sulfur atom, sulfoxide or sulfone; Z is a single bond or —NR 2 —; R 1 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; R 2 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; l is an integer of from 0 to 15; m is an integer of 2 or 3; and n is an integer of from 0 to 3). The compound of the present invention is useful as a pharmaceutical composition, particuarly as an inhibitor of acyl coenzyme A cholesterol acyltransferase (ACAT).

  本发明提供新型环状二胺化合物及含有该化合物的药物组合物。本发明涉及由式(I)或其盐或溶剂形式表示的化合物。(在公式中，2是苯、吡啶、环己烷或萘的可选取代二价残基，或者是Ar是可选取代芳基的乙烯基；X是-NH-、氧原子或硫原子；Y是-NR1-、氧原子、硫原子、亚砜或砜；Z是单键或-NR2-；R1是氢原子、可选取代的低碳基团、可选取代的芳基团或可选取代的硅基低碳基团；R2是氢原子、可选取代的低碳基团、可选取代的芳基团或可选取代的硅基低碳基团；l是0到15的整数；m是2或3的整数；n是0到3的整数)。本发明的化合物可用作药物组合物，特别是作为酰基辅酶A胆固醇酰转移酶(ACAT)的抑制剂。
• Cyclic diamine compounds and medicine containing the same
  申请人：Shibuya Kimiyuki

  公开号：US06969711B2

  公开（公告）日：2005-11-29

  The present invention offers novel cyclic diamine compounds and a pharmaceutical composition containing the same. The present invention relates to a compound represented by the formula (I) or salt(s) or solvate(s) thereof. (In the formula, is an optionally substituted divalent residue of benzene, pyridine, cyclohexane or naphthalene or is a vinylene group where Ar is an optionally substituted aryl group; X is —NH—, oxygen atom or sulfur atom; Y is —NR 1 —, oxygen atom, sulfur atom, sulfoxide or sulfone; Z is a single bond or —NR 2 —; R 1 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; R 2 is hydrogen atom, optionally substituted lower alkyl group, optionally substituted aryl group or optionally substituted silyl lower alkyl group; l is an integer of from 0 to 15; m is an integer of 2 or 3; and n is an integer of from 0 to 3). The compound of the present invention is useful as a pharmaceutical composition, particuarly as an inhibitor of acyl coenzyme A cholesterol acyltransferase (ACAT).

  本发明提供了新型的环状二胺化合物和含有该化合物的药物组合物。本发明涉及一种由式（I）表示的化合物或其盐或溶剂（其中，在该式中，Ar为可选取代芳基；X为—NH—、氧原子或硫原子；Y为—NR1—、氧原子、硫原子、亚砜或亚磺酰基；Z为单键或—NR2—；R1为氢原子、可选取代的低碳基、可选取代的芳基或可选取代的硅烷低碳基；R2为氢原子、可选取代的低碳基、可选取代的芳基或可选取代的硅烷低碳基；l为0至15的整数；m为2或3的整数；n为0至3的整数）。本发明的化合物可用作药物组合物，特别是作为酰基辅酶A胆固醇酰基转移酶（ACAT）的抑制剂。