C-(3-Fluoro-phenyl)-C-phenyl-methylamine | 55095-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: C-(3-Fluoro-phenyl)-C-phenyl-methylamine
• 英文别名: (3-Fluorophenyl)(phenyl)methanamine；(3-fluorophenyl)-phenylmethanamine
• CAS: 55095-25-5
• 化学式: C₁₃H₁₂FN
• mdl: MFCD09807591
• 分子量: 201.243
• InChiKey: CGZRUHXQDYRPLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.076
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  C-(3-Fluoro-phenyl)-C-phenyl-methylamine 、 尿素 在 盐酸 作用下， 反应 3.0h， 以67%的产率得到m-fluorobenzhydrylurea
  参考文献：
  名称：

  Quantitative relationship between anticonvulsant activity in N-benzhydrylamides and N-benzhydrylureas, their structures, and13c NMR spectra

  摘要：

  DOI：

  10.1007/bf00769646

文献信息

• NOVEL URACIL COMPOUND OR SALT THEREOF HAVING HUMAN DEOXYURIDINE TRIPHOSPHATASE INHIBITORY ACTIVITY
  申请人：Fukuoka Masayoshi

  公开号：US20110082163A1

  公开（公告）日：2011-04-07

  Provided is a uracil compound or a salt thereof, which has potent human dUTPase inhibitory activity and is useful as, for example, an antitumor drug. A uracil compound represented by the general formula (I) or a salt thereof: wherein n represents an integer of 1 to 3; X represents a bond, an oxygen atom, a sulfur atom, or the like; Y represents a linear or branched alkylene group having 1 to 8 carbon atoms, or the like; and Z represents —SO 2 NR 1 R 2 or —NR 3 SO 2 —R 4 , wherein R 1 and R 2 each represent an alkyl group having 1 to 6 carbon atoms, an aralkyl group which is optionally substituted, or the like; R 3 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R 4 represents an aromatic hydrocarbon group, an unsaturated heterocyclic group, or the like.

  提供了一种尿嘧啶化合物或其盐，具有强效的人类dUTPase抑制活性，可用作例如抗肿瘤药物。一种由通式（I）表示的尿嘧啶化合物或其盐：其中n表示1至3的整数；X表示键，氧原子，硫原子或类似物；Y表示具有1至8个碳原子的线性或支链烷基或类似物；Z表示—SO2NR1R2或—NR3SO2—R4，其中R1和R2分别表示具有1至6个碳原子的烷基，可选择取代的芳基烷基或类似物；R3表示具有1至6个碳原子的烷基或类似物；R4表示芳香族碳氢基，不饱和杂环基或类似物。
• Design, synthesis, biological evaluation and in silico studies of EGFR inhibitors based on 4-oxo-chromane scaffold targeting resistance in non-small cell lung cancer (NSCLC)
  作者：Kshipra S. Karnik、Aniket P. Sarkate、Shailee V. Tiwari、Rajaram Azad、Pravin S. Wakte

  DOI：10.1007/s00044-022-02929-4

  日期：2022.9

  Allosteric kinase inhibitors targets kinases with oncogenic driver mutations in malignancies as a potential new therapy strategy. EGFR inhibitors with a 4-oxo-chromane scaffold targeting the L858R/T790M/C797S mutation were identified, optimized, synthesized, and assessed for anticancer and EGFR enzyme inhibitory activity. Compounds 4i and 4l were shown to be very effective with IC50 values of 132 and

  变构激酶抑制剂靶向恶性肿瘤中具有致癌驱动突变的激酶，作为一种潜在的新治疗策略。具有靶向 L858R/T790M/C797S 突变的 4-氧代色烷支架的 EGFR 抑制剂被鉴定、优化、合成，并评估其抗癌和 EGFR 酶抑制活性。化合物4i和4l显示出非常有效，IC 50值分别为 132 和 146 nM，并且在计算机研究中具有出色的选择性。化合物4i在 100 µM 浓度下表现出显着的抗氧化活性，DPPH 自由基清除率为 91.46%。合成的化合物4i , 4k和4l被发现对癌细胞具有选择性，因为即使在正常细胞上的 IC 50  > 20 µM 时它们也没有表现出细胞毒性。使用计算机和体外生物学评估进一步评估化合物效力。
• NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP2295414A1

  公开（公告）日：2011-03-16

  Provided is a uracil compound or a salt thereof, which has potent human dUTPase inhibitory activity and is useful as, for example, an antitumor drug. A uracil compound represented by the general formula (I) or a salt thereof: wherein n represents an integer of 1 to 3; X represents a bond, an oxygen atom, a sulfur atom, or the like; Y represents a linear or branched alkylene group having 1 to 8 carbon atoms, or the like; and Z represents -SO2NR1R2 or -NR3SO2-R4, wherein R1 and R2 each represent an alkyl group having 1 to 6 carbon atoms, an aralkyl group which is optionally substituted, or the like; R3 represents an alkyl group having 1 to 6 carbon atoms, or the like; and R4 represents an aromatic hydrocarbon group, an unsaturated heterocyclic group, or the like.

  本文提供了一种尿嘧啶化合物或其盐，它具有强效的人类 dUTP 酶抑制活性，可用作抗肿瘤药物等。 一种由通式（I）代表的尿嘧啶化合物或其盐： 其中 n 代表 1 至 3 的整数；X 代表键、氧原子、硫原子或类似物；Y 代表具有 1 至 8 个碳原子的直链或支链亚烷基或类似物；Z 代表-SO2NR1R2 或-NR3SO2-R4，其中 R1 和 R2 分别代表具有 1 至 6 个碳原子的烷基、任选取代的芳烷基或类似基团；R3 代表具有 1 至 6 个碳原子的烷基或类似基团；R4 代表芳香烃基团、不饱和杂环基团或类似基团。
• URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP2295414B1

  公开（公告）日：2012-09-26
• US8530490B2
  申请人：——

  公开号：US8530490B2

  公开（公告）日：2013-09-10