1-(5-cyclohexylpentyl)-3-(phenylamino)quinolinium iodide | 951647-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(5-cyclohexylpentyl)-3-(phenylamino)quinolinium iodide
• 英文别名: 1-(5-cyclohexylpentyl)-N-phenyl-quinolin-1-ium-3-amine hydroiodide；1-(5-cyclohexylpentyl)-N-phenylquinolin-1-ium-3-amine;iodide
• CAS: 951647-77-1
• 化学式: C₂₆H₃₃N₂*I
• 分子量: 500.466
• InChiKey: SMKOYTHLLJSJPB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  15.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  triphenylbismuth(V) diacetate 在 铜 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 24.0h， 生成 1-(5-cyclohexylpentyl)-3-(phenylamino)quinolinium iodide
  参考文献：
  名称：

  3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES

  摘要：

  本发明涉及喹啉类抗感染剂，其中喹啉核与吲哚环融合，或者喹啉核通过打开的吲哚或苯硫醚或苯并呋喃环与一个环状结构连接。该化合物进一步被各种取代基取代。这些化合物由化学式(I)、(II)和(III)表示。还包括药物组合物和使用方法。

  公开号：

  US20120165369A1

文献信息

• Antifungal and antiparasitic indoloquinoline derivates
  申请人：Ablordeppey Y. Seth

  公开号：US20070232640A1

  公开（公告）日：2007-10-04

  A compound having the formula: wherein: R is an electron withdrawing or electron donating moiety; R 5 and R 10 may be the same or different and are a straight or branched 1-5 carbon or heteroatom chain substituted terminally by a cycloalkyl or aromatic ring, or other structural isomer or complex thereof; n is the position of substitution of R; Z is N—R 10 , O, S, S═O, CH 2 or C═O; y is 1-5 and Q is Z or NH, with the proviso that, where Z is NH, N—CH 3 , S or O and R n is H, R 5 may not be CH 3 ; as well as quaternary ammonium salts thereof and their use as pharmacological compositions and for methods of treatment.

  具有以下化学式的化合物： 其中：R是一个电子受体或电子给予基团； R5和R10可以相同也可以不同，是一条直链或支链的1-5碳或杂原子链，在末端被环烷基或芳香环取代，或其他结构异构体或其复合物；n是R的取代位置； Z是N—R10，O，S，S═O，CH2或C═O；y为1-5，Q为Z或NH， 但是，如果Z为NH，N—CH3，S或O，且Rn为H，则R5可能不是CH3；以及其季铵盐和它们作为药物组合物的用途和治疗方法。
• Identification of 3-phenylaminoquinolinium and 3-phenylaminopyridinium salts as new agents against opportunistic fungal pathogens
  作者：Tryphon K. Mazu、Jagan R. Etukala、Xue Y. Zhu、Melissa R. Jacob、Shabana I. Khan、Larry A. Walker、Seth Y. Ablordeppey

  DOI：10.1016/j.bmc.2010.10.065

  日期：2011.1

  Previous studies on the indoloquinoline alkaloid, cryptolepine (2), revealed that it has antii-nfective properties among other activities. Using Structure-activity relationship (SAR) techniques, several ring-opened analogs of cryptolepine (3-phenylaminopyridinium and 3-phenylaminoquinolinium derivatives) were designed to improve the potency and lower the cytotoxicity shown by several of the precursor agents. Results indicate that these ring-opened analogs constitute new anti-infective agents with over a 100-fold potency and several fold lower cytotoxicity than cryptolepine from which they are derived. Published by Elsevier Ltd.
• 3-SUBSTITUTED QUINOLINIUM AND 7H-INDOLO[2,3-c]QUINOLINIUM SALTS AS NEW ANTIINFECTIVES
  申请人：Ablordeppey Seth Y.

  公开号：US20120165369A1

  公开（公告）日：2012-06-28

  The present invention relates to quinolinium antiinfective agents in which the qunolinium nucleus is fused to an indole ring or the qunolinium nucleus is linked to a cyclic structure through an opened indole or a benzothiophene or benzofuran ring. The compound is further substituted with various substituent groups. The compounds are represented by formula (I), (II) and (III): Pharmaceutical compositions and methods of use are also included.

  本发明涉及喹啉类抗感染剂，其中喹啉核与吲哚环融合，或者喹啉核通过打开的吲哚或苯硫醚或苯并呋喃环与一个环状结构连接。该化合物进一步被各种取代基取代。这些化合物由化学式(I)、(II)和(III)表示。还包括药物组合物和使用方法。