[(4-Methyl-3-nitrobenzoyl)amino]acetic acid

• 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: [(4-Methyl-3-nitrobenzoyl)amino]acetic acid
• 英文别名: 2-[(4-methyl-3-nitrobenzoyl)amino]acetic acid
• 化学式: C10H10N2O5
• mdl: MFCD00277924
• 分子量: 238.2
• InChiKey: FBJVVYJQHFWBDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Anti-tumor compound and the medical use thereof
  申请人：Tianjin Medical University Cancer Institute and Hospital

  公开号：US10512627B2

  公开（公告）日：2019-12-24

  The invention disclose a compound of formula (I), wherein, R1 is selected from —H or C1-C6 hydrocarbon group, —NH2, —OH, —O(CH2)nCH3 (n=0, 1 or 2), —N(CH3)2, or —CH2N(CH3)2, R2 is selected from an amino acid or an hydroxy acid or —OH (R1, R2 are not —CH3 and —OH at the same time), wherein X, Y are —H, —CH3, —CH2OH, —CH(OH)CH3, —CH2SH, —CH(CH3)2, —CH2CH(CH3)2, —CH(CH3)CH2CH3, —CH2CH2SCH3, —CH2COOH, —CH2CONH2, —CH2CH2COOH, —CH2CH2CH2CH2NH2, or —CH2CH2CONH2, R3-R5 are H or C1-C6 hydrocarbon group. The compound has a low toxicity, can significantly inhibit the migration and invasion of tumor cells in vitro, and can inhibit tumor metastasis in vivo in mice at low concentration, while showing notable sensitizing effect on cytotoxic anti-tumor drugs such as Paclitaxel etc.

  本发明公开了式 (I) 的化合物，其中，R1 选自-H 或 C1-C6 烃基、-NH2、-OH、-O(CH2)n (n=0, 1 或 2)、-N(CH3)2 或- N( )2，R2 选自氨基酸 或羟基酸 或-OH（R1、R2 不能同时为- 和-OH），其中 X、Y 为 -H、- 、- OH、-CH(OH) 、- SH、-CH( )2、- CH( )2、-CH( ) 、- S 、- COOH、- CONH2、- COOH、- NH2或- CONH2，R3-R5为H或C1-C6烃基。该化合物毒性低，在体外能显著抑制肿瘤细胞的迁移和侵袭，在小鼠体内低浓度时能抑制肿瘤转移，同时对紫杉醇等细胞毒性抗肿瘤药物有明显的增敏作用。
• ANTI-TUMOR COMPOUND AND THE MEDICAL USE THEREOF
  申请人：Tianjin Medical University Cancer Institute and Hospital

  公开号：US20170273933A1

  公开（公告）日：2017-09-28

  The invention disclose a compound of formula (I), wherein, R 1 is selected from —H or C1-C6 hydrocarbon group, —NH 2 , —OH, —O(CH 2 ) n CH 3 (n=0, 1 or 2), —N(CH 3 ) 2 , or —CH 2 N(CH 3 ) 2 , R 2 is selected from an amino acid or an hydroxy acid or —OH (R 1 , R 2 are not —CH 3 and —OH at the same time), wherein X, Y are —H, —CH 3 , —CH 2 OH, —CH(OH)CH 3 , —CH 2 SH, —CH(CH 3 ) 2 , —CH 2 CH(CH 3 ) 2 , —CH(CH 3 )CH 2 CH 3 , —CH 2 CH 2 SCH 3 , —CH 2 COOH, —CH 2 CONH 2 , —CH 2 CH 2 COOH, —CH 2 CH 2 CH 2 CH 2 NH 2 , or —CH 2 CH 2 CONH 2 , R 3 -R 5 are H or C1-C6 hydrocarbon group. The compound has a low toxicity, can significantly inhibit the migration and invasion of tumor cells in vitro, and can inhibit tumor metastasis in vivo in mice at low concentration, while showing notable sensitizing effect on cytotoxic anti-tumor drugs such as Paclitaxel etc.