2-Methylindole-3-carboxaldehyde 2-甲基吲哚-3-甲醛

CAS 5416-80-8 MFCD00012077

化学结构图

5416-80-8
SMILES: Cc1[nH]c2ccccc2c1C=O

化学属性

Mol. FormulaC10H9NO
Mol. Weight159.19
Melting Point200-201°C
Density1.422
Boiling Point344.3°C at 760 mmHg

别名和识别编码

Chemical Name3-Formyl-2-Methylindole
CAS Number5416-80-8
Alfabeta NameMETHYLINDOLECARBALDEHYDE H213-----
MDL NumberMFCD00012077
Synonym 2-Methyl-1H-indole-3-carbaldehyde {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-1H-indole-3-carbaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID73166
EC Number226-512-6
Beilstein Registry Number21(5)8,306
Reaxys-RN121180
Chemical Name Translation2-甲基吲哚-3-甲醛
InChIKeyCYZIVXOEJNAIBS-UHFFFAOYSA-N
LabNetwork Molecule IDLN00003977
Canonical SMILESC1=CC=CC2=C1C(=C(C)[NH]2)C=O
InChIInChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3
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分类

  • {SNA} Aldehydes, Building Blocks, C10, C10-C12, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
  • Aldehydes, Building Blocks, C10, C10-C12, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks

产品应用

  • Reactant for preparation of:
  • 1.Tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulators.
  • 2.Fluorescent sensors (BODIPY).
  • 3.Antimicrobial agents against methicillin-resistant Staphylococcus aureus.
  • 4.G protein-coupled receptor CRTh2 antagonists.
  • 5.Inhibitors of PI3 kinase-α.
  • 6.Antitubercular agents.
  • 7.Anti-inflammatory agents.
  • 8.Mycobacterium tuberculosis protein tyrosine phosphatase B.
  • 9.Glucocorticoid receptor ligands.
  • 10.Agents stimulating neurite outgrowth.

相关文献及参考

  • 2. Lee, J.-S.; et al., Accelerating fluorescent sensor discovery: unbiased screening of a diversity-oriented BODIPY library Chem. Commun. 47 , 2339, (2011)
  • 3. Al-Qawasmeh, R. A.; et al., Potent antimicrobial activity of 3-(4,5-diaryl-1H-imidazol-2-yl)-1H-indole derivatives against methicillin-resistant Staphylococcus aureus Bioorg. Med. Chem. Lett. 20 , 3518, (2010)
  • 4. Tumey, L. N.; et al., 3-Indolyl sultams as selective CRTh2 antagonists Bioorg. Med. Chem. Lett. 20 , 3287, (2010) 摘要
  • 5. Bursavich, M. G.; et al., Novel benzofuran-3-one indole inhibitors of PI3 kinase-a and the mammalian target of rapamycin: hit to lead studies Bioorg. Med. Chem. Lett. 20 , 2586, (2010)
  • 6. Sonar, V. N.; Crooks, P. A., Synthesis and antitubercular activity of a series of hydrazone and nitrovinyl analogs derived from heterocyclic aldehydes J. Enzyme Inhib. Med. Chem. 24 , 117, (2009) 摘要
  • 7. Singh, N.; et al., Thiazolyl/oxazolyl formazanyl indoles as potent anti-inflammatory agent Eur. J. Med. Chem. 43 , 2597, (2008) 摘要
  • 9. Marshall, D. R.; et al., α-Methyltryptamine sulfonamide derivatives as novel glucocorticoid receptor ligands Bioorg. Med. Chem. Lett. 17 , 315, (2007) 摘要
  • 10. Beck, B.; et al., Discovery of pyrroloimidazoles as agents stimulating neurite outgrowth QSAR Comb. Sci. 25 , 527, (2006)
  • Dolusic, E.; et al., Tryptophan 2,3-Dioxygenase (TDO) Inhibitors. 3-(2-(Pyridyl)ethenyl)indoles as Potential Anticancer Immunomodulators J. Med. Chem. 54 , 5320, (2011) 摘要
  • Noeren-Mueller, A.; et al., Discovery of a new class of inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B by biology-oriented synthesis Angew. Chem. Int. Ed. Engl. 47 , 5973, (2008) 摘要
  • Beil. 21 ,316
  • {

安全信息

Warnings IRRITANT
WGK Germany3
Signal word Warning
GHS Symbol
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Hazard Codes Xn Xi
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • TCI Shanghai:2-甲基吲哚-3-甲醛 2-Methylindole-3-carboxaldehyde,>;98.0%(GC)(5416-80-8)
  • 2-甲基吲哚-3-甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1485 2-甲基吲哚-3-甲醛 2-Methylindole-3-carboxaldehyde 5G 532元 2014/06/02 M1485 2-甲基吲哚-3-甲醛 2-Methylindole-3-carboxaldehyde 25G 1600元 2010/06/21 379721000 2-甲基吲哚-3-甲醛 2-Methylindole-3-carboxaldehyde 97+% 100 GR 5461元
  • MOL 文件:5416-80-8.mol
  • Sigma Aldrich:5416-80-8(sigmaaldrich)
  • Acros Organics:2-甲基吲哚-3-甲醛 2-Methylindole-3-carboxaldehyde(5416-80-8)
  • 用途一:用于制药

系列性分类


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