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

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indazoles 吲唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indoles 吲哚
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Indolines 吲哚啉
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C10-C12 - Aldehydes

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