4-Chloro-N-({[4-(trimethylazaniumyl)but-2-yn-1-yl]oxy}carbonyl)benzen-1-aminide--hydrogen iodide (1/1) | 57302-66-6

• 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: 4-Chloro-N-({[4-(trimethylazaniumyl)but-2-yn-1-yl]oxy}carbonyl)benzen-1-aminide--hydrogen iodide (1/1)
• 英文别名: N-(4-chlorophenyl)-1-[4-(trimethylazaniumyl)but-2-ynoxy]methanimidate;hydroiodide
• CAS: 57302-66-6
• 化学式: C14H18ClIN2O2
• 分子量: 408.66
• InChiKey: ALPGRADTLIWFGZ-UHFFFAOYSA-N

物化性质

• 熔点：
  183-184 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Chloro-N-({[4-(trimethylazaniumyl)but-2-yn-1-yl]oxy}carbonyl)benzen-1-aminide--hydrogen iodide (1/1) 、 barium sulfate 以75%的产率得到
  参考文献：
  名称：

  NELSON W. L.; FREEMAN D. S.; VINCENZI F. F., J. MED. CHEM. , 1976, 19, NO 1, 153-158

  摘要：

  DOI：
• 作为产物：
  描述：

  (4-Chloro-phenyl)-carbamic acid 4-dimethylamino-but-2-ynyl ester 、 碘甲烷 以82%的产率得到
  参考文献：
  名称：

  NELSON W. L.; FREEMAN D. S.; VINCENZI F. F., J. MED. CHEM. , 1976, 19, NO 1, 153-158

  摘要：

  DOI：

文献信息

• 1,2,3,5-tetrahydrobenzo'c!azepin-4-one derivatives having muscarinic antagonist activity
  申请人：——

  公开号：US20030199494A1

  公开（公告）日：2003-10-23

  There is disclosed a compound having the formula or a pharmaceutically acceptable salt thereof, wherein: R 1a , R 1b and R 1c are independently fluorine or hydrogen; R 2 is C 1 to C 12 alkyl being straight or branched chain, saturated or unsaturated, mono-substituted or unsubstituted, said substituents being selected from piperidine, pyrroliding, morpholine, thiomorpholine and cycloalkyl of 3 to 7 carbon atoms; a cycloalkyl of 3 to 9 carbon atoms; a cycloalkyl of 3 to 9 carbon atoms having a C 1 to C 6 alkyl substituent; a polycycloalkyl of 2 to 3 rings having 7 to 12 carbons; and phenyl or phenyl substituted with halogen, hydroxy, C 1 to C 6 alkoxy, C 1 to C 6 alkyl, nitro, methylene dioxy or trifluoromethyl; and R 3 is a moiety selected from: (I), (II) or a pyrrolidin-3-yl moiety of the formula (III). The compounds are disclosed for use as muscarinic antagonists with M 3 selectivity.

  揭示了一种具有以下结构式或其药用可接受盐的化合物，其中：R1a、R1b和R1c独立地是氟或氢；R2是C1到C12的直链或支链、饱和或不饱和、单取代或未取代的烷基，所述取代基被选择自哌啶、吡咯啶、吗啉、硫代吗啉和3到7个碳原子的环烷基；3到9个碳原子的环烷基；3到9个碳原子的环烷基，具有C1到C6烷基取代基；具有7到12个碳原子的2到3环多环烷基；以及苯或苯被卤素、羟基、C1到C6烷氧基、C1到C6烷基、硝基、亚甲二氧基或三氟甲基取代的苯；R3是从(I)、(II)或具有结构式(III)的吡咯啉-3-基团中选择的基团。这些化合物被用作具有M3选择性的毒蕈碱拮抗剂。
• 1,2,3,5-TETRAHYDROBENZO[C]AZEPIN-4-ONE DERIVATIVES HAVING MUSCARINIC ANTAGONIST ACTIVITY
  申请人：Muscagen Limited

  公开号：EP1294697A1

  公开（公告）日：2003-03-26
• [EN] 1, 2, 3, 5 -TETRAHYDROBENZO`C!AZEPIN-4-ONE DERIVATIVES HAVING MUSCARINIC ANTAGONIST ACTIVITY<br/>[FR] DERIVES DE 1, 2, 3, 5 -TETRAHYDROBENZO`C!AZEPINE-4-ONE PRESENTANT UNE ACTIVITE ANTAGONISTE MUSCARINIQUE
  申请人：MUSCAGEN LTD

  公开号：WO2002006241A1

  公开（公告）日：2002-01-24

  There is disclosed a compound having the formula or a pharmaceutically acceptable salt thereof, wherein: R1a, R1b and R1c are independently fluorine or hydrogen; R2 is C1 to C12 alkyl being straight or branched chain, saturated or unsaturated, mono-substituted or unsubstituted, said substituents being selected from piperidine,pyrroliding, morpholine, thiomorpholine and cycloalkyl of 3 to 7 carbon atoms; a cycloalkyl of 3 to 9 carbon atoms; a cycloalkyl of 3 to 9 carbon atoms having a C1 to C6 alkyl substituent; a polycycloalkyl of 2 to 3 rings having 7 to 12 carbons; and phenyl or phenyl substituted with halogen, hydroxy, C1 to C6 alkoxy, C1 to C6 alkyl, nitro, methylene dioxy or trifluoromethyl; and R3 is a moiety selected from: (I), (II) or a pyrrolidin-3-yl moiety of the formula (III). The compounds are disclosed for use as muscarinic antagonists with M3 selectivity.
• NELSON W. L.; FREEMAN D. S.; VINCENZI F. F., J. MED. CHEM. <JMCM-AR>, 1976, 19, NO 1, 153-158
  作者：NELSON W. L.、 FREEMAN D. S.、 VINCENZI F. F.

  DOI：——

  日期：——