4-<3,5-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-7-chloroquinoline | 5201-88-7

• 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: 4-<3,5-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-7-chloroquinoline
• 英文别名: 4-(7'-chloroquinolin-4'-ylamino)-2,6-bis(pyrrolidin-1''-ylmethyl)phenol；bispyroquine；4-[3',5'-bis(N-pyrrolidinylmethyl)-4'-hydroxyanilino]-7-chloroquinoline；4-[(7-Chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol
• CAS: 5201-88-7
• 化学式: C₂₅H₂₉ClN₄O
• 分子量: 436.984
• InChiKey: UNJNCKMZXXZIBE-UHFFFAOYSA-N

物化性质

• 熔点：
  184-185 °C
• 沸点：
  555.2±50.0 °C(Predicted)
• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  51.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对乙酰氨基酚 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 4-<3,5-bis<(N-pyrrolidinyl)methyl>-4-hydroxyanilino>-7-chloroquinoline
  参考文献：
  名称：

  Synthesis and antiarrhythmic and parasympatholytic properties of substituted phenols. 1. Heteroarylamine derivatives

  摘要：

  Twenty-four structural derivatives of the antiarrhythmic drug changrolin were synthesized and tested for antiarrhythmic and parasympatholytic activities. It was found that while the bis(pyrrolidinylmethyl)phenol pattern of changrolin appeared to be optimal in this series, a wide latitude existed for the heteroaryl substituent for maintaining good antiarrhythmic activity. Further, the antiarrhythmic and parasympatholytic activities tended to exhibit parallel changes.

  DOI：

  10.1021/jm00360a005

文献信息

• [EN] 7-CHLORO-QUINOLIN-4-AMINE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS<br/>[FR] COMPOSÉS DE 7-CHLORO-QUINOLIN-4-AMINE ET LEURS UTILISATIONS POUR PRÉVENIR OU TRAITER LES MALADIES IMPLIQUANT LA FORMATION DE PLAQUES AMYLOÏDES ET/OU UN DYSFONCTIONNEMENT DU MÉTABOLISME DE L'APP
  申请人：INST NAT SANTE RECH MED

  公开号：WO2011073322A1

  公开（公告）日：2011-06-23

  The present invention relates to compounds having the following Formula (I) for use in the prevention and/or the treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs.

  本发明涉及具有以下式（I）的化合物，用于预防和/或治疗涉及淀粉样斑块形成和/或APP代谢功能障碍的疾病。
• [EN] TLR7/8 ANTAGONISTS AND USES THEREOF<br/>[FR] ANTAGONISTES DE TLR7/8 ET LEURS UTILISATIONS
  申请人：MERCK PATENT GMBH

  公开号：WO2021257273A1

  公开（公告）日：2021-12-23

  The present invention relates to compounds of the invention and pharmaceutically acceptable compositions thereof, useful as TLR7/8 antagonists.

  本发明涉及本发明化合物及其药学上可接受的组合物，用作TLR7/8拮抗剂。
• NEW HETEROCYCLE COMPOUNDS AND USES THEREOF FOR THE PREVENTION OR TREATMENT OF DISEASES INVOLVING FORMATION OF AMYLOID PLAQUES AND/OR WHERE A DYSFUNCTION OF THE APP METABOLISM OCCURS
  申请人：Delacourte Andre

  公开号：US20120283256A1

  公开（公告）日：2012-11-08

  The present invention relates to compounds having the following Formula (I) for use in the prevention and/or the treatment of diseases involving formation of amyloid plaques and/or where a dysfunction of the APP metabolism occurs.

  本发明涉及具有以下式（I）的化合物，用于预防和/或治疗涉及淀粉样斑块形成和/或APP代谢功能紊乱的疾病。
• Heteroaryl substituted aminomethyl benzene derivatives, compositions and use
  申请人：THE DU PONT MERCK PHARMACEUTICAL COMPANY

  公开号：EP0310155A1

  公开（公告）日：1989-04-05

  New compounds of the formula (I) where X is straight-chained alkylene, or -S- wherein R1 is hydrogen, aryl, or lower alkyl; W is hydrogen, hydroxy, amino, , 0-alkyl, alkylsulfonamide or O-aralkyl; (Y)A is positioned ortho to W and is an aminoalkyl having the formula -CH2NR2R3, wherein R2 and R3 are the same or different and may be hydrogen, lower alkyl, hydroxyalkyl, cycloalkyl, alkoxyalkyl, alkoxyaryl, aryl, heteroaryl, or R2 and R3 may together with N form a 5 to 7 membered heterocyclic group optionally including oxygen, nitrogen, or sulfur as a second hetero-atom, and A is 1 or 2; N and M are independently from O to about 5; and Ar is a substituted or unsubstituted pyridine optionally fused with one or more heteroaryls and pharmaceutically acceptable salts of such compounds are useful in the treatment of various cardiac arrhythmias.

  式 (I) 的新化合物 其中 X 是 直链亚烷基，或 -S- 其中 R1 是氢、芳基或低级烷基；W 是氢、羟基、氨基、 其中 R2 和 R3 相同或不同，可以是氢、低级烷基、羟基烷基、环烷基、烷氧基烷基、烷氧基芳基、芳基、杂芳基，或 R2 和 R3 可与 N 一起形成 5 至 7 个成员的杂环基团，任选包括氧、氮或硫作为第二个杂原子，且 A 为 1 或 2；N 和 M 独立地从 O 到约 5；Ar 是取代或未取代的吡啶，可选与一个或多个杂芳基融合，此类化合物的药学上可接受的盐类可用于治疗各种心律失常。
• Barlin, Gordon B.; Ireland, Stephen J.; Nguyen, Trang M. T., Australian Journal of Chemistry, 1994, vol. 47, # 8, p. 1553 - 1560
  作者：Barlin, Gordon B.、Ireland, Stephen J.、Nguyen, Trang M. T.、Kotecka, Barbara、Rieckmann, Karl H.

  DOI：——

  日期：——