1-(6,7,8,9-Tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-(4-methylphenyl)methanol | 127890-54-4

• 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: 1-(6,7,8,9-Tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-(4-methylphenyl)methanol
• 英文别名: (3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol；(4-methylphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
• CAS: 127890-54-4
• 化学式: C₁₉H₂₃NO
• 分子量: 281.398
• InChiKey: KLGYQZZTJRHYIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(6,7,8,9-Tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-(4-methylphenyl)methanol 生成 2-(Methoxy-p-tolyl-methyl)-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
  参考文献：
  名称：

  CROSSLEY, ROGER;OPALKO, ALBERT;SHEPHERD, ROBIN GERALD

  摘要：

  DOI：
• 作为产物：
  描述：

  对甲基苯甲醛 、 2-bromo-3-methyl-6,7,8,9-tetrahydro-5H-cycloheptapyridine 在 正丁基锂 作用下， 生成 1-(6,7,8,9-Tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-(4-methylphenyl)methanol
  参考文献：
  名称：

  某些5,6,7,8-四氢喹啉和相关化合物的合成及其抗炎活性。

  摘要：

  具有良好抗溃疡活性的一些8-亚苄基-5,6,7,8-四氢喹啉的修饰导致具有良好体内抗炎活性的三类化合物。最初的努力导致了一系列衍生自在8位上取代的5,6,7,8-四氢喹啉的烯烃。第二种方法集中于用其他间隔基团取代这些8-亚苄基取代的化合物的CH键，并将环烷基环的尺寸从六元环增加到七元环，从而提供6,7,8,9-四氢-5H-环庚[b]吡啶类似物。最后，将取代基从环烷基环切换到吡啶环的2-位。还检查了2-取代基的变化。

  DOI：

  10.1021/jm00009a008

文献信息

• Certain anti-inflammatory cyclohepta[b]pyridines and analogs thereof
  申请人：John Wyeth & Brother Limited

  公开号：US04975431A1

  公开（公告）日：1990-12-04

  The invention concerns compounds of formula I ##STR1## or a salt thereof, wherein R.sup.1 and R.sup.2 each independently represent hydrogen, lower alkyl, lower alkoxy, carboxyloweralkyl, carboxy, hydroxyloweralkyl, halogen, haloloweralkyl, lower alkoxycarbonyl, optionally substituted aryl or optionally substituted aralkyl, n represents an integer from 3 to 6; R.sup.3 represents hydrogen or single or multiple substitution on one or more of the aliphatic carbons by one or more substituents selected from lower alkyl, optionally substituted aryl and optionally substituted aralkyl; A represents a group of formula (i) or (ii) below: --CR.sup.4 R.sup.5 --(CR.sup.6 R.sup.7).sub.m -- (i) --CX--(CR.sup.6 R.sup.7).sub.m -- (ii) in which R.sup.4, R.sup.6 and R.sup.7 each independently represent hydrogen or lower alkyl (providing that when R.sup.5 is NH.sub.2, R.sup.4 is hydrogen); m is O or 1; R.sup.5 represents hydrogen, NH.sub.2, OH or loweralkoxy, and X is .dbd.O, .dbd.NH or .dbd.NOH, the attachment of A to B being from either end, and B represents a optionally substituted aryl or heteroaryl radical which compounds possess anti-inflammatory activity. Also disclosed is a process for preparing a useful intermediate to compounds of formula I.

  本发明涉及I式化合物或其盐，其中R1和R2各自独立地表示氢，低级烷基，低级烷氧基，羧基低级烷基，羧基，羟基低级烷基，卤素，卤代低级烷基，低级氧代羰基，可选地取代的芳基或可选地取代的芳基烷基，n表示3到6的整数；R3表示氢或在一种或多种脂肪族碳上的单个或多个取代基，所述取代基选自低级烷基，可选地取代的芳基和可选地取代的芳基烷基；A表示以下式(i)或(ii)的基团：--CR4R5--(CR6R7)m--(i)--CX--(CR6R7)m--(ii)其中R4，R6和R7各自独立地表示氢或低级烷基（仅当R5为NH2时，R4为氢）；m为O或1；R5表示氢，NH2，OH或低级氧代烷氧基，X为.dbd.O，.dbd.NH或.dbd.NOH，A与B的连接可从任一端开始，B表示可选地取代的芳基或杂环芳基基团，这些化合物具有抗炎活性。还公开了一种制备I式化合物有用中间体的方法。
• Method for the production of 2-bromo-5,6,7,8-tetrahydroquinoline and the
  申请人：John Wyeth & Brother Limited

  公开号：US05026854A1

  公开（公告）日：1991-06-25

  The invention concerns compounds of formula I ##STR1## or a salt thereof, wherein R.sup.1 and R.sup.2 each independently represent hydrogen, lower alkyl, lower alkoxy, carboxyloweralkyl, carboxy, hydroxyloweralkyl, halogen, haloloweralkyl, lower alkoxycarbonyl, optionally substituted aryl or optionally substituted aralkyl, n represents an integer from 3 to 6; R.sup.3 which is optionally present represents single or multiple substitution on one or more of the aliphatic carbons by one or more substituents selected from lower alkyl, optionally substituted aryl and optionally substituted aralkyl; A represents a group of formula (i) or (ii) below: --CR.sup.4 R.sup.5 --(CR.sup.6 R.sup.7).sub.m -- (i) --CX--(CR.sup.6 R.sup.7).sub.m -- (ii) in which R.sup.4, R.sup.6 and R.sup.7 each independently represent hydrogen or lower alkyl (providing that when R.sup.5 is NH.sub.2, R.sup.4 is hydrogen); m is 0 or 1; R.sup.5 represents hydrogen, NH.sub.2, OH or loweralkoxy, and X is .dbd.O, .dbd.NH or .dbd.NOH, the attachment of A to B being from either end, and B represents an optionally substituted aryl or heteroaryl radical which compounds possess anti-inflammatory activity. Also disclosed is a process for preparing a useful intermediate to compounds of formula I.

  本发明涉及公式I的化合物##STR1##或其盐，其中R.sup.1和R.sup.2各自独立地表示氢，较低的烷基，较低的烷氧基，羧基较低的烷基，羧基，羟基较低的烷基，卤素，卤代较低的烷基，较低的烷氧羰基，可选地取代的芳基或可选地取代的芳基烷基，n表示3到6的整数; 可选地存在的R.sup.3表示在一个或多个脂肪碳上的单个或多个取代基，所述取代基从较低的烷基，可选地取代的芳基和可选地取代的芳基烷基中选择一个或多个取代基; A表示以下公式（i）或（ii）的一组：--CR.sup.4 R.sup.5--（CR.sup.6 R.sup.7）.sub.m--（i）--CX--（CR.sup.6 R.sup.7）.sub.m--（ii）其中R.sup.4，R.sup.6和R.sup.7各自独立地表示氢或较低的烷基（只要当R.sup.5为NH.sub.2时，R.sup.4为氢）; m为0或1; R.sup.5表示氢，NH.sub.2，OH或较低的烷氧基，X为.dbd.O，.dbd.NH或.dbd.NOH，A与B的连接从任一端开始，B表示可选地取代的芳基或杂环芳基基团，这些化合物具有抗炎活性。还公开了制备公式I化合物有用中间体的方法。
• Certain cyclopenta[b]pyridines and 5,6,7,8-tetrahydroquinolines having
  申请人：John Wyeth & Brother Limited

  公开号：US05112832A1

  公开（公告）日：1992-05-12

  The invention concerns compounds of formula I ##STR1## or a salt thereof, wherein R.sup.1 and R.sup.2 each independently represent hydrogen, lower alkyl, lower alkoxy, carboxyloweralkyl, carboxy, hydroxyloweralkyl, halogen, haloloweralkyl, lower alkoxycarbonyl, optionally substituted aryl or optionally substituted aralkyl, n represents an integer from 3 to 6; R.sup.3 represents hydrogen or single or multiple substitution on one or more of the aliphatic carbons by one or more substituents selected from lower alkyl, optionally substituted aryl and optionally substituted aralkyl; A represents a group of formula (i) or (ii) below: --CR.sup.4 R.sup.5 --(CR.sup.6 R.sup.7).sub.m -- (i) --CX--(CR.sup.6 R.sup.7).sub.m -- (ii) in which R.sup.4, R.sup.6 and R.sup.7 each independently represent hydrogen or lower alkyl (providing that when R.sup.5 is NH.sub.2, R.sup.0 is hydrogen); m is 0 or 1; R.sup.5 represents hydrogen, NH.sub.2, OH or loweralkoxy, and X is .dbd.O, .dbd.NH or .dbd.NOH, the attachment of A to B being from either end, and B represents an optionally substituted aryl or heteroaryl radical which compounds possess anti-inflammatory activity. Also disclosed is a process for preparing a useful intermediate to compounds of formula I.

  本发明涉及公式I的化合物 ##STR1## 或其盐，其中R.sup.1和R.sup.2各自独立地表示氢，低烷基，低烷氧基，羧基低烷基，羧基，羟基低烷基，卤素，卤代低烷基，低烷氧羰基，可选地取代的芳基或可选地取代的芳基烷基，n表示3到6的整数；R.sup.3表示氢或在一个或多个脂肪碳上单个或多个取代基上的单个或多个取代基，所述取代基选自低烷基，可选地取代的芳基和可选地取代的芳基烷基；A表示以下式(i)或(ii)的基团：--CR.sup.4 R.sup.5 --(CR.sup.6 R.sup.7).sub.m -- (i) --CX--(CR.sup.6 R.sup.7).sub.m -- (ii)其中R.sup.4，R.sup.6和R.sup.7各自独立地表示氢或低烷基（当R.sup.5为NH.sub.2时，R.sup.0为氢）；m为0或1；R.sup.5表示氢，NH.sub.2，OH或低烷氧基，X为.dbd.O，.dbd.NH或.dbd.NOH，A与B的连接可以从任一端进行，B表示可选地取代的芳基或杂环芳基基团，这些化合物具有抗炎活性。本发明还公开了制备公式I化合物有用中间体的方法。
• CROSSLEY, ROGER;OPALKO, ALBERT;SHEPHERD, ROBIN GERALD
  作者：CROSSLEY, ROGER、OPALKO, ALBERT、SHEPHERD, ROBIN GERALD

  DOI：——

  日期：——
• Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas
  申请人：Claesson Hans-Erik

  公开号：US20080081835A1

  公开（公告）日：2008-04-03

  The invention relates to the use of an inhibitor of the biosynthesis and/or function of LTB 4 for the manufacture of a medicament for the treatment of B-cell chronic lymphocytic leukemia (B-CLL), B-prolymphocytic leukemia (B-PLL) or B-cell lymphoma. Preferably, the inhibitor of the biosynthesis and/or function of LTB 4 is the inhibitor of 5-LO BWA4C or the inhibitor of FLAP MK-886.