3-isopropyloxy-4-methylbenzenamine | 111185-05-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-isopropyloxy-4-methylbenzenamine
• 英文别名: 3-(1-methylethoxy)-4-methyl-benzenamine；4-Methyl-3-(propan-2-yloxy)aniline；4-methyl-3-propan-2-yloxyaniline
• CAS: 111185-05-8
• 化学式: C₁₀H₁₅NO
• mdl: MFCD11934532
• 分子量: 165.235
• InChiKey: YBTSEOSALWHADB-UHFFFAOYSA-N

物化性质

• 沸点：
  270.4±20.0 °C(Predicted)
• 密度：
  0.999±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-isopropyloxy-4-methylbenzenamine 、 2-氰基-3-乙氧基丙烯酸乙酯 以 甲苯 为溶剂， 反应 4.0h， 以72%的产率得到2-cyano-3-(3-isopropyloxy-4-methylphenylamino)acrylic acid ethyl ester
  参考文献：
  名称：

  Design and synthesis of 7-alkoxy-4-heteroarylamino-3-quinolinecarbonitriles as dual inhibitors of c-Src kinase and nitric oxide synthase

  摘要：

  Because both c-Src and iNOS are key regulatory enzymes in tumorigenesis, a new series of 4-heteroarylamino-3-quinolinecarbonitriles as potent dual inhibitors of both enzymes were designed, prepared, and evaluated for blocking multiple signaling pathways in cancer therapy. All compounds were evaluated by two related enzyme inhibition assays and an anti-proliferation assay in vitro. The results showed that most compounds could inhibit both enzymes, and several of them showed potent inhibition activity against different cancer cell lines. The best compound 20 (CPU-Y020) showed the IC(50) values of 6.58 and 7.61 mu M toward colon cancer HT-29 and liver cancer HepG2 cell lines. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.065
• 作为产物：
  描述：

  2-isopropyloxy-1-methyl-4-nitrobenzene 在 铁粉 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 3-isopropyloxy-4-methylbenzenamine
  参考文献：
  名称：

  Design and synthesis of 7-alkoxy-4-heteroarylamino-3-quinolinecarbonitriles as dual inhibitors of c-Src kinase and nitric oxide synthase

  摘要：

  Because both c-Src and iNOS are key regulatory enzymes in tumorigenesis, a new series of 4-heteroarylamino-3-quinolinecarbonitriles as potent dual inhibitors of both enzymes were designed, prepared, and evaluated for blocking multiple signaling pathways in cancer therapy. All compounds were evaluated by two related enzyme inhibition assays and an anti-proliferation assay in vitro. The results showed that most compounds could inhibit both enzymes, and several of them showed potent inhibition activity against different cancer cell lines. The best compound 20 (CPU-Y020) showed the IC(50) values of 6.58 and 7.61 mu M toward colon cancer HT-29 and liver cancer HepG2 cell lines. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.065

文献信息

• Cumarinverbindungen, Verfahren zu ihrer Herstellung und deren Verwendung als Weisstöner und Laserfarbstoffe
  申请人：BAYER AG

  公开号：EP0014344B1

  公开（公告）日：1982-04-21
• HAMILTON J.; MAHAFFY A. L., SYNTH. AND REACT. INORG. AND METAL-ORG. CHEM., 16,(1986) N 10, 1363-1369
  作者：HAMILTON J.、 MAHAFFY A. L.

  DOI：——

  日期：——
• BRANCHED ALKOXY-SUBSITUTED 2-AMINOPYRIDINES AS NOS INHIBITORS
  申请人：Pfizer Products Inc.

  公开号：EP1007512A1

  公开（公告）日：2000-06-14
• C5AR ANTAGONISTS
  申请人：ChemoCentryx, Inc.

  公开号：EP3078658B1

  公开（公告）日：2019-04-10
• US3950347A
  申请人：——

  公开号：US3950347A

  公开（公告）日：1976-04-13