5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3-hydroxy-3,4-dihydro-1H-quinolin-2-one | 292143-05-6

• 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: 5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3-hydroxy-3,4-dihydro-1H-quinolin-2-one
• 英文别名: 5-[6,6-dimethylhepta-2,4-diynyl(methyl)amino]-3-hydroxy-3,4-dihydro-1H-quinolin-2-one
• CAS: 292143-05-6
• 化学式: C₁₉H₂₂N₂O₂
• 分子量: 310.396
• InChiKey: TUMYKOFWDQYFIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3-hydroxy-3,4-dihydro-1H-quinolin-2-one 在 2,3,5-三甲基吡啶 、 sodium azide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel fungal chitin synthase inhibitors

  摘要：

  A novel Candida albicans chitin synthase 1 (CaChs1) inhibitor, RO-41-0986 (1) was discovered by random screening. Systematic modification led to the identification of a highly potent CaChs1 inhibitor, RO-09-3024 (2), having strong antifungal activity against Candida spp. in vitro. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00257-2
• 作为产物：
  描述：

  2,6-二硝基甲苯 在 palladium hydroxide - carbon 氢气 、 sodium cyanoborohydride 、 caesium carbonate 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3-hydroxy-3,4-dihydro-1H-quinolin-2-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel fungal chitin synthase inhibitors

  摘要：

  A novel Candida albicans chitin synthase 1 (CaChs1) inhibitor, RO-41-0986 (1) was discovered by random screening. Systematic modification led to the identification of a highly potent CaChs1 inhibitor, RO-09-3024 (2), having strong antifungal activity against Candida spp. in vitro. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00257-2

文献信息

• Synthesis and structure–activity relationships of novel fungal chitin synthase inhibitors
  作者：Kazunao Masubuchi、Mikio Taniguchi、Isao Umeda、Kazuo Hattori、Hitomi Suda、Yasunori Kohchi、Yoshiaki Isshiki、Toshiya Sakai、Masami Kohchi、Michio Shirai、Hisafumi Okabe、Masayuki Sudoh、Toshikazu Yamazaki、Nobuo Shimma

  DOI：10.1016/s0960-894x(00)00257-2

  日期：2000.7

  A novel Candida albicans chitin synthase 1 (CaChs1) inhibitor, RO-41-0986 (1) was discovered by random screening. Systematic modification led to the identification of a highly potent CaChs1 inhibitor, RO-09-3024 (2), having strong antifungal activity against Candida spp. in vitro. (C) 2000 Elsevier Science Ltd. All rights reserved.