6,7-二甲氧基-3-甲基-1,2,3,4-四氢异喹啉 | 6266-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: 6,7-二甲氧基-3-甲基-1,2,3,4-四氢异喹啉
• 中文别名: 6,7-二甲氧基-3-甲基-1,2,3,4-四氢异喹啉盐酸盐
• 英文名称: 6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline hydrochloride
• 英文别名: 6,7-Dimethoxy-3-methyl-1,2,3,4-tetrahydro-isochinolin; Hydrochlorid；6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
• CAS: 6266-97-3
• 化学式: C₁₂H₁₇NO₂*ClH
• 分子量: 243.733
• InChiKey: AFFAKYIZHAGJMU-UHFFFAOYSA-N

物化性质

• 熔点：
  250-252 °C
• 稳定性/保质期：
  避免与不相容的材料接触，尤其是强氧化剂。

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.1
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S37,S39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933499090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P201,P264,P280,P301+P330+P331,P312
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H361,H372,H410

反应信息

• 作为反应物：
  描述：

  6,7-二甲氧基-3-甲基-1,2,3,4-四氢异喹啉 在 氢溴酸 作用下， 反应 5.0h， 以100%的产率得到3-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrobromide
  参考文献：
  名称：

  SAR studies of capsazepinoid bronchodilators. Part 1: The importance of the catechol moiety and aspects of the B-ring structure

  摘要：

  Capsazepine as well as its derivatives and analogues are general inhibitors of constriction of human small airways. From a systematic variation of the capsazepine structure, divided into four regions, SARs were established. This part concerns the catechol moiety of the A-ring as well as the 2,3,4,5-tetrahydro-1H-2-azepine moiety (the B-ring) of capsazepine. It is revealed that a conformational constrain (as a fused ring) is important and that compounds with a six-membered B-ring (as a 1,2,3,4-tetrahydroisoquinoline) in general are more potent than the corresponding isoindoline, 2,3,4,5 -tetrahydro-1H-2-benzazepi ne and 2,3,4,5-tetrahydro-1H-3-benzazepine derivatives. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.11.055
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 、 水 、 锌 作用下， 生成 6,7-二甲氧基-3-甲基-1,2,3,4-四氢异喹啉
  参考文献：
  名称：

  3-Methyl-3,4-dihydroisoquinolines and 3-Methyl-1,2,3,4-tetrahydroisoquinolines¹

  摘要：

  DOI：

  10.1021/ja01859a050

文献信息

• Tetrahydropyridine derivatives, their preparation and their use as cell proliferation inhibitors
  申请人：——

  公开号：US20040053960A1

  公开（公告）日：2004-03-18

  A compound of the formula (I) wherein A, R 1 , R 2 and X have the meanings defined in the specification, process of manufacturing such as compound and a pharmaceutical composition with HDAC inhibitor activity and anti-cell proliferation activity containing such a compound.

  一种化合物的公式(I)，其中A、R1、R2和X具有规范中定义的含义，制造该化合物的方法以及含有具有HDAC抑制剂活性和抗细胞增殖活性的该化合物的药物组合物。
• [EN] BRONCHORELAXING COMPOUNDS<br/>[FR] COMPOSES BRONCHO-RELACHANTS
  申请人：RESPIRATORIUS AB

  公开号：WO2005070887A1

  公开（公告）日：2005-08-04

  A compound of the general formula (I) including its pharmaceutically acceptable acid addition salts formula (I) wherein A is CHR9, wherein R9 is H, C1-C6 alkyl;n is 1-3; B is CHR10, wherein R10 is H, C1-C6 alkyl; m is 1 or 2; D is O or S; E is CR11R12 or NR13, wherein R11 and R12 are, independent of each other, H or C1-C6 alkyl, R13 is H or C1-C6 alkyl; F is C1-C18 alkyl or R4-R7 cycloalkyl, which may be mono- or di-unsaturated and/or substituted, is useful in treating and preventing pulmonary disease characterized by bronchoconstriction; also disclosed is a pharmaceutical composition comprising the compound of formula (I), a pharmaceutical carrier and, optionally, an anti-asthmatic, a method for its manufacture, and a method for treating or preventing such disease.

  通式（I）的化合物及其药学上可接受的酸加合盐，其中A为CHR9，其中R9为H，C1-C6烷基；n为1-3；B为CHR10，其中R10为H，C1-C6烷基；m为1或2；D为O或S；E为CR11R12或NR13，其中R11和R12独立地为H或C1-C6烷基，R13为H或C1-C6烷基；F为C1-C18烷基或R4-R7环烷基，可以是单烯或双烯和/或取代的，用于治疗和预防以支气管收缩为特征的肺部疾病；还公开了包含通式（I）的药物组合物、药物载体和可选的抗哮喘药、其制造方法以及治疗或预防该疾病的方法。
• Bronchorelaxing compounds
  申请人：Skogvall Staffan

  公开号：US20060040919A1

  公开（公告）日：2006-02-23

  A compound of the general formula (I) including its pharmaceutically acceptable acid addition salts wherein A is CHR 9 , wherein R 9 is H, C 1 -C 6 alkyl; n is 1-3; B is CHR 10 , wherein R 10 is H, C 1 -C 6 alkyl; m is 1 or 2; D is O or S; E is CR 11 R 12 or NR 13 , wherein R 11 and R 12 are, independent of each other, H or C 1 -C 6 alkyl, R 13 is H or C 1 -C 6 alkyl; F is C 1 -C 18 alkyl or R 4 -R 7 cycloalkyl, which may be mono- or di-unsaturated and/or substituted, is useful in treating and preventing pulmonary disease characterized by bronchoconstriction; also disclosed is a pharmaceutical composition comprising the compound of formula (I), a pharmaceutical carrier and, optionally, an anti-asthmatic, a method for its manufacture, and a method for treating or preventing such disease.

  化合物的一般式(I)及其药学上可接受的酸盐包括其中，其中A为CHR9，其中R9为H，C1-C6烷基；n为1-3；B为CHR10，其中R10为H，C1-C6烷基；m为1或2；D为O或S；E为CR11R12或NR13，其中R11和R12独立地为H或C1-C6烷基，R13为H或C1-C6烷基；F为C1-C18烷基或R4-R7环烷基，可以是单烯或双烯和/或取代的，用于治疗和预防以支气管收缩为特征的肺部疾病；还公开了包括式(I)化合物的药物组合物、药物载体和可选的抗哮喘药、其制造方法以及治疗或预防该疾病的方法。
• NORDLANDER, J. E.;PAYNE, M. J.;NJOROGE, F. G.;BALK, M. A.;LAIKOS, G. D.;V+, J. ORG. CHEM., 1984, 49, N 22, 4107-4111
  作者：NORDLANDER, J. E.、PAYNE, M. J.、NJOROGE, F. G.、BALK, M. A.、LAIKOS, G. D.、V+

  DOI：——

  日期：——
• TETRAHYDROPYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CELL PROLIFERATION INHIBITORS
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1353921B1

  公开（公告）日：2006-04-19