(R)-2-(Benzo[b]thiophen-5-ylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-carboxylic acid N-hydroxyamide | 371915-46-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (R)-2-(Benzo[b]thiophen-5-ylmethanesulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-carboxylic acid N-hydroxyamide
• 英文别名: (3R)-2-(1-benzothiophen-5-ylmethylsulfonyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
• CAS: 371915-46-7
• 化学式: C₁₉H₁₈N₂O₄S₂
• 分子量: 402.495
• InChiKey: ZIIKCCSSSPIEDQ-QGZVFWFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• N-sulfonyl hydroxamic acid derivatives as inhibitors of cd23
  申请人：——

  公开号：US20030195191A1

  公开（公告）日：2003-10-16

  Compounds of formula (I): wherein R 1 is bicyclyl or heterobicyclyl, R 2 and R 3 are each independently hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, heterocyclyl, (C1-6)alkylthio, (C2-6)alkenylthio, (C2-6)alkynylthio, aryloxy, arylthio, heterocyclyloxy, heterocyclythio, (C1-6)alkoxy, (C1-6)alkenyloxy, aryl(C1-6)alkoxy, aryl(C1-6)alkylthio, amino, mono- or di-(C1-6)alkylamino, acylamino, sulfonylamino, cycloalkyl, cycloalkenyl, carboxylic acid (C1-6) ester, hydroxy, halogen, carboxamide: CONR 8 R 9 where R 8 and R 9 are independently selected from the group consisting of hydrogen, alkyl, aryl, arylalkyl and heterocyclyl and includes R 8 and R 9 as part of a heterocyclyl group, or R 2 and R 3 together form a cyclic alkyl or alkenyl; R 4 and R 5 are each independently aryl, heteroaryl, heterocyclyl, alkoxy, alkyl, hydroxy or optionally substituted amino; R 6 and R 7 are each hydrogen or together form a fused aryl ring; and m and n are each independently from 0 to 2; with the proviso that when n=1 neither R 4 nor R 5 is hydroxy, alkoxy or amino, are useful in the treatment and prophylaxis of conditions mediated by CD23 or TNF.

  化合物的式子(I): 其中R1是双环或杂双环，R2和R3分别是氢，烷基，烯基，炔基，芳基，杂芳基，杂环基，(C1-6)烷基硫，(C2-6)烯基硫，(C2-6)炔基硫，芳氧基，芳硫基，杂环氧基，杂环硫基，(C1-6)烷氧基，(C1-6)烯氧基，芳基(C1-6)烷氧基，芳基(C1-6)烷基硫，氨基，单烷基或双烷基(C1-6)氨基，酰胺基，磺酰胺基，环烷基，环烯基，羧酸(C1-6)酯，羟基，卤素，羧酰胺：CONR8R9，其中R8和R9分别选择自羟基，烷基，芳基，芳基烷基和杂环基的群体，并包括将R8和R9作为杂环基的一部分，或R2和R3一起形成环状烷基或烯基；R4和R5分别是芳基，杂芳基，杂环基，烷氧基，烷基，羟基或可选择取代氨基；R6和R7分别是氢或一起形成融合的芳环；m和n各自独立于0到2；但当n=1时，R4和R5均不是羟基，烷氧基或氨基，这些化合物可用于治疗和预防由CD23或TNF介导的疾病。
• N-SULFONYL HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF CD 23
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1280800A1

  公开（公告）日：2003-02-05
• [EN] N-SULFONYL HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF CD 23<br/>[FR] DERIVES D'ACIDE N-SULFONIQUE HYDROXAMIQUE EN TANT QU'INHIBITEURS DE CD23
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2001085721A1

  公开（公告）日：2001-11-15

  Compounds of formula (I): wherein R1 is bicyclyl or heterobicyclyl, R?2 and R3¿ are each independently hydrogen, alkyl, alkenyl, alkynyl, aryl, heteroaryl, heterocyclyl, (C1-6)alkylthio, (C2-6)alkenylthio, (C2-6)alkynylthio, aryloxy, arylthio, heterocyclyloxy, heterocyclythio, (C1-6)alkoxy, (C1-6)alkenyloxy, aryl(C1-6)alkoxy, aryl(C1-6)alkylthio, amino, mono- or di-(C1-6)alkylamino, acylamino, sulfonylamino, cycloalkyl, cycloalkenyl, carboxylic acid (C1-6) ester, hydroxy, halogen, carboxamide: CONR8R9 where R?8 and R9¿ are independently selected from the group consisting of hydrogen, alkyl, aryl, arylalkyl and heterocyclyl and includes R?8 and R9¿ as part of a heterocyclyl group, or R?2 and R3¿ together form a cyclic alkyl or alkenyl; R?4 and R5¿ are each independently aryl, heteroaryl, heterocyclyl, alkoxy, alkyl, hydroxy or optionally substituted amino; R?6 and R7¿ are each hydrogen or together form a fused aryl ring; and m and n are each independently from 0 to 2; with the proviso that when n=1 neither R?4 nor R5¿ is hydroxy, alkoxy or amino, are useful in the treatment and prophylaxis of conditions mediated by CD23 or TNF.