Chemical Name | 3-Formyl-2-Methylindole |
CAS Number | 5416-80-8 |
Alfabeta Name | METHYLINDOLECARBALDEHYDE H213----- |
MDL Number | MFCD00012077 |
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 ID | 73166 |
EC Number | 226-512-6 |
Beilstein Registry Number | 21(5)8,306 |
Reaxys-RN | 121180 |
Chemical Name Translation | 2-甲基吲哚-3-甲醛 |
InChIKey | CYZIVXOEJNAIBS-UHFFFAOYSA-N |
LabNetwork Molecule ID | LN00003977 |
Canonical SMILES | C1=CC=CC2=C1C(=C(C)[NH]2)C=O |
InChI | InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3 |
Warnings |
IRRITANT |
WGK Germany | 3 |
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;
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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.....
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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
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{} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro |
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.
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2. Lee, J.-S.; et al., Accelerating fluorescent sensor discovery: unbiased screening of a diversity-oriented BODIPY library Chem. Commun. 47 , 2339, (2011)
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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)
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4. Tumey, L. N.; et al., 3-Indolyl sultams as selective CRTh2 antagonists Bioorg. Med. Chem. Lett. 20 , 3287, (2010) 摘要
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{SA} 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)
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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
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{SA} 7. Singh, N.; et al., Thiazolyl/oxazolyl formazanyl indoles as potent anti-inflammatory agent Eur. J. Med. Chem. 43 , 2597, (2008) 摘要
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{SA} 9. Marshall, D. R.; et al., α-Methyltryptamine sulfonamide derivatives as novel glucocorticoid receptor ligands Bioorg. Med. Chem. Lett. 17 , 315, (2007) 摘要
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{SA} 10. Beck, B.; et al., Discovery of pyrroloimidazoles as agents stimulating neurite outgrowth QSAR Comb. Sci. 25 , 527, (2006)
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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
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{SA} 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
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{SA} Beil. 21 ,316
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