194423-15-9

• 常用中文名：N-[4-[(3-溴苯基)氨基]-6-喹唑啉]-2-丙酰胺
• 常用英文名：PD168393
• CAS号：194423-15-9
• 分子式：C₁₇H₁₃BrN₄O
• 分子量：369.215
• 相关类别： 生物化工 抑制剂 蛋白酪氨酸激酶
• 发布时间：2018-12-25 20:55:18
• 更新时间：2024-01-02 16:49:54
• PD168393是一个强的，不可逆转的EGFR抑制剂，IC50是0.7 nM.

名称

• 中文名: N-[4-[(3-溴苯基)氨基]-6-喹唑啉]-2-丙酰胺
• 英文名: N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamide
• 英文别名: 2-Propenamide (N-[4-[(3-bromophenyl)amino]-6-quinazolinyl]; nchembio866-comp2; pd 168393; 2-Propenamide, N-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-; N-{4-[(3-Bromophenyl)amino]-6-quinazolinyl}acrylamide; PD168393

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 571.1±50.0 °C at 760 mmHg
• 熔点: 279℃
• 分子式: C₁₇H₁₃BrN₄O
• 分子量: 369.215
• 闪点: 299.2±30.1 °C
• 精确质量: 368.027252
• PSA: 70.40000
• LogP: 3.72
• 蒸汽压: 0.0±1.6 mmHg at 25°C
• 折射率: 1.744
• 储存条件: -20°C

生物活性

• 描述: PD168393是一个强的,不可逆转的EGFR抑制剂,IC50是0.7 nM.
• 相关类别:
  信号通路 >> 自噬 >> 自噬
  研究领域 >> 癌症
• 靶点:

  EGFR:0.7 nM (IC50)

• 参考文献:

  [1]. Fry DW et al. Specific, irreversible inactivation of the epidermal growth factor receptor and erbB2, by a new class of tyrosine kinase inhibitor. Proc Natl Acad Sci U S A. 1998 Sep 29;95(20):12022-7.

  [2]. Sun X et al. The activation of EGFR promotes myocardial tumor necrosis factor-α production and cardiac failure in endotoxemia. Oncotarget. 2015 Nov 3;6(34):35478-95.

  [3]. Li G et al. Modulation of ErbB2 blockade in ErbB2-positive cancers: the role of ErbB2 Mutations and PHLDA1. PLoS One. 2014 Sep 19;9(9):e106349.

  [4]. White KJ et al. Irritant activation of epithelial cells is mediated via protease-dependent EGFR activation. J Invest Dermatol. 2011 Feb;131(2):435-42.

安全

• 危险品运输编码: NONH for all modes of transport

合成路线

79-10-7 169205-78-1 ~43% 194423-15-9

文献：Warner-Lambert Company Patent: US6344459 B1, 2002 ; Location in patent: Page column 48 ; US 6344459 B1

256409-20-8 ~84% 194423-15-9

文献：Wyeth Patent: EP1100788 B1, 2005 ; Location in patent: Page/Page column 7 ;

256409-24-2 ~56% 194423-15-9

文献：Wyeth Patent: EP1100788 B1, 2005 ; Location in patent: Page/Page column 9-10 ;

256409-22-0 ~49% 194423-15-9

文献：Wyeth Patent: EP1100788 B1, 2005 ; Location in patent: Page/Page column 8 ;

814-68-6 169205-78-1 ~11% 194423-15-9

文献：Pawar, Vijaykumar G.; Sos, Martin L.; Rode, Haridas B.; Rabiller, Matthias; Heynck, Stefanie; Van Otterlo, Willem A. L.; Thomas, Roman K.; Rauh, Daniel Journal of Medicinal Chemistry, 2010 , vol. 53, # 7 p. 2892 - 2901

169205-78-1 ~% 194423-15-9

文献：American Cyanamid Company Patent: EP787722 A1, 1997 ; Title/Abstract Full Text Show Details Wyeth Holdings Corporation Patent: EP980244 B1, 2003 ;

17420-30-3 ~% 194423-15-9

文献：Tsou; Mamuya; Johnson; Reich; Gruber; Ye; Nilakantan; Shen; Discafani; DeBlanc; Davis; Koehn; Greenberger; Wang; Wissner Journal of Medicinal Chemistry, 2001 , vol. 44, # 17 p. 2719 - 2734

169205-77-0 ~% 194423-15-9

文献：Tsou; Mamuya; Johnson; Reich; Gruber; Ye; Nilakantan; Shen; Discafani; DeBlanc; Davis; Koehn; Greenberger; Wang; Wissner Journal of Medicinal Chemistry, 2001 , vol. 44, # 17 p. 2719 - 2734

上下游产品

上游产品  5
79-10-7 169205-78-1 814-68-6 17420-30-3
169205-77-0
下游产品  0