N-[2,6-Bis(1-methylethyl)phenyl]-4-[2-[(7-nitro-2-benzoxazolyl)thio]ethyl]-1-piperazineacetamide | 217095-31-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[2,6-Bis(1-methylethyl)phenyl]-4-[2-[(7-nitro-2-benzoxazolyl)thio]ethyl]-1-piperazineacetamide
• 英文别名: N-[2,6-di(propan-2-yl)phenyl]-2-[4-[2-[(7-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethyl]piperazin-1-yl]acetamide
• CAS: 217095-31-3
• 化学式: C27H35N5O4S
• 分子量: 525.7
• InChiKey: ULFMKXKHLZCLGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  133
• 氢给体数：
  1
• 氢受体数：
  8

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).

  本发明提供了新颖的环状二胺化合物以及含有该化合物的药物组合物。本发明涉及由式(I)表示的化合物或其盐或溶剂化合物。(在该式中，2是苯、吡啶、环己烷或萘的可选择取代的二价残基，或者是Ar为可选择取代芳基的乙烯基；X为—NH—、氧原子或硫原子；Y为—NR1—、氧原子、硫原子、亚砜或砜；Z为单键或—NR2—；R1为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；R2为氢原子、可选择取代的较低烷基、可选择取代的芳基或可选择取代的硅烷较低烷基；l为0到15的整数；m为2或3的整数；n为0到3的整数)。本发明的化合物可用作药物组合物，特别是作为酰辅酶A胆固醇酰基转移酶(ACAT)的抑制剂。
• NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME
  申请人：Kowa Co., Ltd.

  公开号：EP0987254B1

  公开（公告）日：2004-12-22
• US6969711B2
  申请人：——

  公开号：US6969711B2

  公开（公告）日：2005-11-29