N’-[2-[(3-amino-4-methylpyridin-2-yl)amino]-8-chloro-3-methyl-5-quinolinyl]-N,N-dimethylsulfamide | 1381954-40-0

• 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: N’-[2-[(3-amino-4-methylpyridin-2-yl)amino]-8-chloro-3-methyl-5-quinolinyl]-N,N-dimethylsulfamide
• 英文别名: N'-[2-[(-3-amino-4-methylpyridin-2-yl)amino]-3-methyl-5-quinolinyl]-N,N-dimethylsulfamide；2-[(3-Amino-4-methylpyridin-2-yl)amino]-5-(dimethylsulfamoylamino)-3-methylquinoline
• CAS: 1381954-40-0
• 化学式: C₁₈H₂₂N₆O₂S
• 分子量: 386.478
• InChiKey: LWHIWNYBTZRFEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  对三氟甲氧基苯胺 、 2,8-dichloro-5-(2-(piperidin-1-yl)ethoxy)quinoline 在 palladium diacetate caesium carbonate 作用下， 以 叔丁醇 为溶剂， 生成 N’-[2-[(3-amino-4-methylpyridin-2-yl)amino]-8-chloro-3-methyl-5-quinolinyl]-N,N-dimethylsulfamide
  参考文献：
  名称：

  Compounds useful for treating AIDS

  摘要：

  本发明涉及用于防止、抑制或治疗艾滋病的化合物（I）。本发明进一步涉及公式（I）的化合物，其中X是CR0或N；R0、R1、R2、R3、R4、R7和R8独立地代表一个氢原子、一个卤素原子或一个选自（C1-C5）烷基团、（C3-C6）环烷基团、（C1-C5）氟烷基团、（C1-C5）烷氧基团、（C1-C5）氟烷氧基团、-CN基团、-COORa基团、-NO2基团、-NRaRb基团、-NRa-SO2-NRaRb基团、-NRa-SO2-Ra基团、-NRa-C(=O)-Ra基团、-NRa-C(=O)-NRaRb基团、-SO2-NRaRb基团、-SO3H基团、-OH基团、-O-SO2-ORc基团、-O-P(=O)-(ORc)(ORd)基团、-O-CH2-COORc基团，并且还可以是一个选自：R5代表一个氢原子、一个（C1-C5）烷基团或一个（C3-C6）环烷基团；R10是一个氢原子或一个氯原子，R11是一个氢原子或一个（C1-C4）烷基团或其药用可接受盐的任何一个。

  公开号：

  EP2465502A1

文献信息

• QUINOLINE DERIVATIVES FOR USE INE THE TRAEATMENT OF INFLAMMATION DISEASES
  申请人：ABIVAX

  公开号：EP3669873A1

  公开（公告）日：2020-06-24

  The present disclosure relates to quinoline derivatives of Formula (I): wherein each R is independently hydrogen, halogen, -CN, hydroxyl, (C1-C3)fluoroalkyl, (C1-C3)fluoroalkoxy, (C3-C6)cycloalkyl, -NO2, -NR1R2, (C1-C4)alkoxy, phenoxy, -NR1-SO2-NR1R2, -NR1-SO2-R1, -NR1-C(=O)-R1, -NR1-C(=O)-NR1R2,-SO2-NR1R2, -SO3H, -O-SO2-OR3, -O-P(=O)-(OR3)(OR4), -O-CH2-COOR3, (C1-C3)alkyl, said alkyl being optionally mono- or di-substituted by a hydroxyl group; each R' is independently hydrogen, (C1-C3)alkyl, hydroxyl, halogen, -NO2, -NR1R2, morpholinyl, morpholino, N-methylpiperazinyl, (C1-C3)fluoroalkyl, (C1-C4)alkoxy, -O-P(=O)-(OR3)(OR4), -CN, or other groups; for use for preventing and/or treating inflammatory disease, disorder, or conditions.

  本公开涉及式 (I) 的喹啉衍生物： 其中每个 R 独立地为氢、卤素、-CN、羟基、(C1-C3)氟烷基、(C1-C3)氟烷氧基、(C3-C6)环烷基、-NO2、-NR1R2、(C1-C4)烷氧基、苯氧基、-NR1-SO2-NR1R2、-NR1-SO2-R1、-NR1-C(＝O)-R1、-NR1-C(＝O)-NR1R2、-SO2-NR1R2、-SO3H、-O-SO2-OR3、-O-P(＝O)-(OR3)(OR4)、-O-CH2-COOR3、(C1-C3)烷基，所述烷基可任选被羟基单取代或二取代；每个 R'独立地为氢、(C1-C3)烷基、羟基、卤素、- 、-NR1R2、吗啉基、吗啉基、N-甲基哌嗪基、(C1-C3)氟烷基、(C1-C4)烷氧基、-O-P(=O)-(OR3)(OR4)、-CN 或其他基团；用于预防和/或治疗炎症性疾病、紊乱或病症。
• QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF CANCER
  申请人：ABIVAX

  公开号：EP3669874A1

  公开（公告）日：2020-06-24

  A quinoline derivative of formula (I') wherein R independently represent a halogen atom or a group chosen among a (C1-C3)fluoroalkyl group, a (C1-C3)fluoroalkoxy group, a -NR1R2 group, a (C1-C4)alkoxy group and a (C1-C3)alkyl group, said alkyl being optionally mono or di-substituted by a hydroxyl group, R' independently represent a halogen atom or a group chosen among a (C1-C3)alkyl group, a hydroxyl group, a -NR1R2 group, a morpholinyl or a morpholino group, a N-methylpiperazinyl group, a (C1-C3)fluoroalkyl group and a (C1-C4)alkoxy group, and can further be a other groups or anyone of its metabolites or pharmaceutically acceptable salt or anyone of their enantiomers or diastereoisomers, for use for treating or preventing cancer or dysplasia.

  式 (I') 的喹啉衍生物 其中 R 独立地代表一个卤素原子或一个选自(C1-C3)氟烷基、(C1-C3)氟烷氧基、-NR1R2 基团、(C1-C4)烷氧基和(C1-C3)烷基的基团，所述烷基可选择被羟基单取代或二取代，R'独立地代表一个卤素原子或一个选自(C1-C3)烷基的基团、羟基、-NR1R2 基团、吗啉基或吗啉基、N-甲基哌嗪基、(C1-C3)氟烷基和(C1-C4)烷氧基，还可以是其他基团或其代谢物或药学上可接受的盐或其对映体或非对映异构体中的任何一种，用于治疗或预防癌症或发育不良。
• BIOMARKERS, AND USES IN TREATMENT OF VIRAL INFECTIONS, INFLAMMATIONS, OR CANCER
  申请人：ABIVAX

  公开号：EP3670659A1

  公开（公告）日：2020-06-24

  The present disclosure relates to certain biomarkers, and uses thereof in monitoring, assessing, and/or treatment of viral infections, or inflammatory diseases, disorders, or conditions, or cancer.

  本公开涉及某些生物标记物及其在监测、评估和/或治疗病毒感染或炎症性疾病、失调或病症或癌症中的用途。
• COMPOUNDS USEFUL FOR TREATING AIDS
  申请人：ABIVAX

  公开号：EP2651416B1

  公开（公告）日：2018-05-09
• QUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF INFLAMMATION DISEASES
  申请人：ABIVAX

  公开号：US20220023324A1

  公开（公告）日：2022-01-27

  A compound of Formula (I): or anyone of its metabolites or a pharmaceutically acceptable salt thereof, for use for treating and/or preventing an inflammatory disease, disorder or condition, wherein each R is independently hydrogen, halogen, —CN, hydroxyl, (C 1 -C 3 )fluoroalkyl, (C 1 -C 3 )fluoroalkoxy, (C 3 -C 6 )cycloalkyl, —NO 2 , —NR 1 R 2 , (C 1 -C 4 )alkoxy, phenoxy, —NR 1 —SO 2 —NR 1 R 2 , —NR 1 —SO 2 —R1, —NR 1 —C(═O)—R 1 , —NR 1 —C(═O)—NR 1 R 2 , —SO 2 —NR 1 R 2 , —SO 3 H, —O—SO 2 —OR 3 , —O—P(═O)—(OR 3 )(OR 4 ), —O—CH 2 —COOR 3 , (C 1 -C 3 )alkyl; each R′ is independently hydrogen, (C1-C3)alkyl, hydroxyl, halogen, —NO 2 , —NR 1 R 2 , morpholinyl, morpholino, N-methylpiperazinyl, (C 1 -C 3 )fluoroalkyl, (C 1 -C 4 )alkoxy, —O—P(═O)—(OR 3 )(OR 4 ), —CN, a —NH—SO 2 —N(CH 3 ) 2 group, or other groups and further relates to A compound of formula (IV): or a pharmaceutically acceptable salt thereof, for use for treating and/or preventing an inflammatory disease, disorder or condition, wherein V, Z, R, R′, n, and n′ are as described above.