N-[3-tert-butyl-2-hydroxy-5-[2-[(3S,4S)-2-imino-3-phenyl-4-propylpyrrolidin-1-yl]acetyl]phenyl]-N-methylmethanesulfonamide;hydrobromide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-[3-tert-butyl-2-hydroxy-5-[2-[(3S,4S)-2-imino-3-phenyl-4-propylpyrrolidin-1-yl]acetyl]phenyl]-N-methylmethanesulfonamide;hydrobromide
• 化学式: C27H38BrN3O4S
• 分子量: 580.6
• InChiKey: BQHNMJMVAPCENL-VJTNNGHGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.34
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• Cyclic amidine derivative
  申请人：——

  公开号：US20040254376A1

  公开（公告）日：2004-12-16

  A cyclic amidine derivative represented by the formula: 1 [wherein R 1 , R 2 and R 3 represent hydrogen, C 1-6 alkyl, aryl-C 1-6 alkyl, etc.; R 4 , R 5 and R 7 represent hydrogen, C 1-6 alkyl, etc.; Z represents 0 or 1; R 6 represents hydrogen, C 1-6 alkyl, C 1-6 alkyloxycarbonyl, etc.; n represents 1 or 2; Y 1 represents a single bond, —CH 2 —, etc.; Y 2 represents a single bond, —CO—, etc.; Ar represents hydrogen, a group represented by the formula: 2 [wherein R 10 -R 14 represent hydrogen, C 1-6 alkyl, hydroxyl, C 1-6 alkoxy, etc., and R 11 and R 12 or R 12 and R 13 may bond together to form a 5- to 8-membered heterocycle], etc.] or a salt thereof.

  一种环状酰胺衍生物，其化学式表示为：1［其中R1、R2和R3表示氢、C1-6烷基、芳基-C1-6烷基等；R4、R5和R7表示氢、C1-6烷基等；Z表示0或1；R6表示氢、C1-6烷基、C1-6烷氧羰基等；n表示1或2；Y1表示单键，—CH2—等；Y2表示单键，—CO—等；Ar表示氢、一个由式2表示的基团［其中R10-R14表示氢、C1-6烷基、羟基、C1-6烷氧基等，且R11和R12或R12和R13可以结合形成5-至8元杂环］等；或其盐。
• CYCLIC AMIDINE DERIVATIVES
  申请人：Suzuki Shuichi

  公开号：US20090215795A1

  公开（公告）日：2009-08-27

  A cyclic amidine derivative represented by the formula: [wherein R 1 , R 2 and R 3 represent hydrogen, C 1-6 alkyl, aryl-C 1-6 alkyl, etc.; R 4 , R 5 and R 7 represent hydrogen, C 1-6 alkyl, etc.; Z represents 0 or 1; R 6 represents hydrogen, C 1-6 alkyl, C 1-6 alkyloxycarbonyl, etc.; n represents 1 or 2; Y 1 represents a single bond, —CH 2 —, etc.; Y 2 represents a single bond, —CO—, etc.; Ar represents hydrogen, a group represented by the formula: [wherein R 10 -R 14 represent hydrogen, C 1-6 alkyl, hydroxyl, C 1-6 alkoxy, etc., and R 11 and R 12 or R 12 and R 13 may bond together to form a 5- to 8-membered heterocycle], etc.] or a salt thereof.

  一种环状酰胺衍生物，其化学式表示为：[其中R1、R2和R3代表氢、C1-6烷基、芳基-C1-6烷基等；R4、R5和R7代表氢、C1-6烷基等；Z代表0或1；R6代表氢、C1-6烷基、C1-6烷氧羰基等；n代表1或2；Y1代表单键、—CH2—等；Y2代表单键、—CO—等；Ar代表氢、一个由以下化学式表示的基团：[其中R10-R14代表氢、C1-6烷基、羟基、C1-6烷氧基等，而R11和R12或R12和R13可以结合形成一个5-至8元杂环]等；]或其盐。
• CYCLIC AMIDINE DERIVATIVE
  申请人：Eisai Co., Ltd.

  公开号：EP1386912A1

  公开（公告）日：2004-02-04

  A cyclic amidine derivative represented by the formula: [wherein R1, R2 and R3 represent hydrogen, C1-6 alkyl, aryl-C1-6 alkyl, etc.; R4, R5 and R7 represent hydrogen, C1-6 alkyl, etc.; Z represents 0 or 1; R6 represents hydrogen, C1-6 alkyl, C1-6 alkyloxycarbonyl, etc.; n represents 1 or 2; Y1 represents a single bond, -CH2-, etc.; Y2 represents a single bond, -CO-, etc.; Ar represents hydrogen, a group represented by the formula: [wherein R10-R14 represent hydrogen, C1-6 alkyl, hydroxyl, C1-6 alkoxy, etc., and R11 and R12 or R12 and R13 may bond together to form a 5- to 8-membered heterocycle], etc.] or a salt thereof.

  一种由式表示的环状脒衍生物： [其中R1、R2和R3代表氢、C1-6烷基、芳基-C1-6烷基等；R4、R5和R7代表氢、C1-6烷基等；Z代表0或1；R6代表氢、C1-6烷基、C1-6烷氧基羰基等；n代表1或2；Y1代表单键、-CH2-等；Y2代表单键、-CO-等；Ar代表氢、由式表示的基团： [其中 R10-R14 代表氢、C1-6 烷基、羟基、C1-6 烷氧基等，R11 和 R12 或 R12 和 R13 可键合在一起形成 5 至 8 元杂环]等]或其盐。
• US7476688B2
  申请人：——

  公开号：US7476688B2

  公开（公告）日：2009-01-13