2-(2,6-二甲基苯基)异喹啉-1,3(2H,4H)-二酮 | 126070-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 2-(2,6-二甲基苯基)异喹啉-1,3(2H,4H)-二酮
• 英文名称: N-(2,6-dimethylphenyl)homophthalimide
• 英文别名: N-(2,6-dimethylphenyl)-homophthalimide；2-(2,6-dimethylphenyl)-1,3(2H,4H)-isoquinolinedione；1,3(2H,4H)-Isoquinolinedione, 2-(2,6-dimethylphenyl)-；2-(2,6-dimethylphenyl)-4H-isoquinoline-1,3-dione
• CAS: 126070-09-5
• 化学式: C₁₇H₁₅NO₂
• 分子量: 265.312
• InChiKey: AAWIKXLXTWDRAN-UHFFFAOYSA-N

物化性质

• 熔点：
  129-131 °C(Solv: hexane (110-54-3))
• 沸点：
  447.7±45.0 °C(Predicted)
• 密度：
  1.222±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  37.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(2,6-二甲基苯基)异喹啉-1,3(2H,4H)-二酮 在 碳酸氢钠 作用下， 以 水 为溶剂， 生成 2-[2-[(2,6-dimethylphenyl)carbamoyl]phenyl]acetic acid
  参考文献：
  名称：

  Modena, T.; Azzolina, O.; Genta, I., Il Farmaco, 1989, vol. 44, # 7-8, p. 721 - 730

  摘要：

  DOI：
• 作为产物：
  描述：

  高邻苯二甲酸酐 、 2,6-二甲基苯胺 生成 2-(2,6-二甲基苯基)异喹啉-1,3(2H,4H)-二酮
  参考文献：
  名称：

  Thalidomide as a Nitric Oxide Synthase Inhibitor and Its Structural Development

  摘要：

  沙利度胺被发现具有弱的硝氧化酶（NOS）抑制活性。沙利度胺的结构开发研究表明，一些N-2,6-二甲基苯基同苯二甲酰亚胺类似物具有抑制NOS的活性。

  DOI：

  10.1248/cpb.52.498

文献信息

• Medicinal composition
  申请人：Ishihara Sangyo Kaisha Ltd.

  公开号：US06429212B1

  公开（公告）日：2002-08-06

  It is to provide a cyclic imide derivative which is useful as an active ingredient of a pharmaceutical composition. A pharmaceutical composition which comprises, a cyclic imide derivative represented by the general formula (I): wherein Q1 is a single bond, —CH2—, —O—, —S— or —NH—, each of Q2 and Q3 is —C(O)—, —C(S)— or —CH2—, provided that at least one of Q2 and Q3 is —C(O)— or —C(S)—, Z is a single bond or a lower alkanediyl group, R is an aryl group which may be substituted or a cycloalkyl group which may be substituted, X is a nitro group, an amino group which may be acylated, a cyano group, a trifluoromethyl group, a hydroxyl group, a halogen atom, an alkyl group, an alkoxy group or an alkylthio group, m is an integer of from 0 to 4, and when m is 2 or above, X may be the same or different, or its salt.

  提供的是一种环状亚胺衍生物，它作为药物组合物的有效成分很有用。所述药物组合物包含由通式(I)表示的环状亚胺衍生物： 其中Q1是单键、-CH2-、-O-、-S-或-NH-，Q2和Q3每个是-C(O)-、-C(S)-或-CH2-，前提是Q2和Q3中至少有一个是-C(O)-或-C(S)-，Z是单键或低级脂肪二烯基团，R是可以被取代的芳基团或可以被取代的环烷基团，X是硝基团、可能被酰化的氨基团、氰基团、三氟甲基团、羟基团、卤素原子、烷基团、烷氧基团或烷硫基团，m是从0到4的整数，当m为2或以上时，X可以是相同的或不同的，或其盐。
• Pharmaceutical composition
  申请人：Ishihara Sangyo Kaisha Ltd.

  公开号：US06515129B1

  公开（公告）日：2003-02-04

  It is to provide a cyclic imide derivative which is useful as an active ingredient of a pharmaceutical composition. A pharmaceutical composition which comprises, a cyclic imide derivative represented by the general formula (I): wherein Q1 is a single bond, —CH2—, —O—, —S— or —NH—, each of Q2 and Q3 is —C(O)—, —C(S)— or —CH2—, provided that at least one of Q2 and Q3 is —C(O)— or —C(S)—, Z is a single bond or a lower alkanediyl group, R is an aryl group which may be substituted or a cycloalkyl group which may be substituted, X is a nitro group, an amino group which may be acylated, a cyano group, a trifluoromethyl group, a hydroxyl group, a halogen atom, an alkyl group, an alkoxy group or an alkylthio group, m is an integer of from 0 to 4, and when m is 2 or above, X may be the same or different, or its salt.

  它是为了提供一种环内酰亚胺衍生物，该衍生物可用作药物组合物的活性成分。该药物组合物包括由通式（I）表示的环内酰亚胺衍生物，其中Q1是单键，-CH2-，-O-，-S-或-NH-，Q2和Q3每个是-C（O）-，-C（S）-或-CH2-，但至少有一个是-C（O）-或-C（S）-，Z是单键或低级脂肪二基基团，R是芳基基团，可以被取代或环烷基团，可以被取代，X是硝基基团，可以酰化的氨基基团，氰基，三氟甲基基团，羟基，卤素原子，烷基，烷氧基或烷硫基，m是0到4的整数，当m为2或以上时，X可以相同或不同，或其盐。
• Phenylhomophthalimide-type NOS inhibitors derived from thalidomide
  作者：Tomomi Noguchi、Hiroko Sano、Rumiko Shimazawa、Aya Tanatani、Hiroyuki Miyachi、Yuichi Hashimoto

  DOI：10.1016/j.bmcl.2004.06.026

  日期：2004.8

  Thalidomide shows moderate inhibitory activity toward neuronal nitric oxide synthase (nNOS) and inducible NOS (iNOS), but not toward endothelial NOS (eNOS). Structural development studies of thalidomide yielded novel phenylhomophthalimide-type NOS inhibitors with enhanced activity and different subtype selectivity. (C) 2004 Elsevier Ltd. All rights reserved.
• MODENA, T.;AZZOLINA, O.;GENTA, I.;MAZZA, M., FARMACO, 44,(1989) N-8, C. 721-729
  作者：MODENA, T.、AZZOLINA, O.、GENTA, I.、MAZZA, M.

  DOI：——

  日期：——
• US6429212B1
  申请人：——

  公开号：US6429212B1

  公开（公告）日：2002-08-06