Pyridin-3-Ylmethyl 4-((2-Aminophenyl)Carbamoyl)Benzylcarbamate 4-((2-氨基苯基)氨甲酰)苄基氨基甲酸3-吡啶基甲基酯

CAS 209783-80-2 MFCD08272435

化学结构图

209783-80-2
SMILES: Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1

化学属性

Mol. FormulaC21H20N4O3
Mol. Weight376
Appearance white off white solid powder
SolubilitySoluble in DMSO, not in water

别名和识别编码

Chemical NamePyridin-3-Ylmethyl 4-((2-Aminophenyl)Carbamoyl)Benzylcarbamate
CAS Number209783-80-2
Synonym ######## 3-pyridinylmethyl [[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]carbamate 3-pyridinylmethyl [[4-​[[(2-​aminophenyl)​amino]​carbonyl]​phenyl]​methyl]​carbamate, MS-275 (Entinostat, SNDX-275), N-​(2-​Aminophenyl)​-​4-​[N-​(pyridine-​3ylmethoxycarbonyl)​aminomethyl]​benzamide MS275; MS-275; MS 2275; SNDX275; SNDX-275; SNDX 275; Entinostat N-(2-Aminophenyl)-4-[N-(pyridine-3ylmethoxycarbonyl)aminomethyl]benzamide
MDL NumberMFCD03453552
PubChem Substance ID329799578
LabNetwork Molecule IDLN01285798
Chemical Name Translation4-((2-氨基苯基)氨甲酰)苄基氨基甲酸3-吡啶基甲基酯
FormulaC21H20N4O3
IUPAC Namepyridin-3-ylmethyl 4-((2-aminophenyl)carbamoyl)benzylcarbamate.
InChIKeyINVTYAOGFAGBOE-UHFFFAOYSA-N
InChIInChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)
Canonical SMILESO=C(OCC1=CC=CN=C1)NCC2=CC=C(C(NC3=CC=CC=C3N)=O)C=C2
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分类

  • Heterocycles
  • Pharmaceuticals
  • Amines
  • {SNA} Bioactive Small Molecules for Epigenetic Research, Histone Deacetylase Inhibitors, Other HDAC Inhibitors, 分子生物学, 表观遗传学
  • Intermediates & Fine Chemicals
  • Aromatics

产品应用

  • Entinostat, also known as MS-275 or SNDX-275, is a potent HDAC inhibitor with potential antineoplastic activity. Entinostat binds to and inhibits histone deacetylase, an enzyme that regulates chromatin structure and gene transcription. This agent appears to exert dose-dependent effects in human leukemia cells including cyclin-dependent kinase inhibitor 1A (p21/CIP1/WAF1)-dependent growth arrest and differentiation at low drug concentrations; a marked induction of reactive oxygen species (ROS); mitochondrial damage; caspase activation; and, at higher concentrations, apoptosis.

相关文献及参考

  • Hu, E., et al.: J. Pharmacol. Exp. Ther., 307, 720 (2003),
  • Maggio, S., et al.: Cancer Res., 64, 2590 (2004),
  • Gojo, I., et al.: Blood, 109, 2781 (2007),
  • Xu, W; Oncogene, 26, 5541 (2007),

安全信息

GHS Symbol
UN Number 2811
Hazard Codes 6.1
Signal word Danger
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R48/25
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P301+P310
  • P305+P351+P338
  • P308+P313
Packing GroupIII
Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

系列性分类

  1. Medical Research Areas
  2. Neuronal Signaling
  3. HDAC

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