7-Azaindole-3-Carboxaldehyde 7-氮杂吲哚-3-甲醛
CAS 4649-09-6 MFCD03407363
化学结构图
SMILES: O=Cc1c[nH]c2ncccc12
化学属性
| Mol. Formula | C8H6N2O |
|---|---|
| Mol. Weight | 146 |
| Melting Point | 216-220 |
| Density | 1.31 |
别名和识别编码
| Chemical Name | 7-Azaindole-3-Carboxaldehyde |
|---|---|
| CAS Number | 4649-09-6 |
| Alfabeta Name | PYRROLOPYRIDINECARBALDEHYDE HB1233[]----, |
| MDL Number | MFCD03407363 |
| Synonym | 1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde 7-氮杂吲哚-3-甲醛 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 2384789 |
| Chemical Name Translation | 7-氮杂吲哚-3-甲醛 |
| PubChem Substance ID | 5372812 |
| LabNetwork Molecule ID | LN00004065 |
| InChI | InChI=1S/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10) |
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资金保障
专业采购外包团队在线服务
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分类
- {KO} AminesSecondaryHeteroNH
- {SNA} Aldehydes, Azaindoles, Building Blocks, C7 to C9, C8, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
- {KO} Aldehydes
- Aldehydes, Azaindoles, Building Blocks, C7 to C9, C8, Carbonyl Compounds, Chemical Synthesis, Heterocyclic Building Blocks, Indoles, Organic Building Blocks
产品应用
- A reagent used in the preparation of biologically active Azaindoles.
相关文献及参考
- Bahekar, R., et al.: Bioorg. Med. Chem., 15, 6782 (2007),
- 2. Marcin, L. R.; et al., Synthesis and SAR of indole- and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1 Bioorg. Med. Chem. Lett. 21 , 537, (2011) 摘要
- 3. Khanfar, M. A.; El Sayed, K. A., Phenylmethylene hydantoins as prostate cancer invasion and migration inhibitors. CoMFA approach and QSAR analysis Eur. J. Med. Chem. 45 , 5397, (2010) 摘要
- 4. Wang, Z. H.; et al., Synthesis and CDK2 kinase inhibitory activity of 7/7'-azaindirubin derivatives Chin. Chem. Lett. 21 , 297, (2010)
- 5. Ermoli, A.; et al., Cell Division Cycle 7 Kinase Inhibitors: 1H-Pyrrolo[2,3-b]pyridines, Synthesis and Structure-Activity Relationships J. Med. Chem. 52 , 4380, (2009)
- 6. Tsai, J.; et al., Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc. Natl. Acad. Sci. U. S. A. 105 , 3041, (2008) 摘要
- 7. Bahekar, R. H.; et al., Synthesis and antidiabetic activity of 2,5-disubstituted-3-imidazol-2-yl-pyrrolo[2,3-b]pyridines and thieno[2,3-b]pyridines Bioorg. Med. Chem. 15 , 6782, (2007)
- 8. Pedras, M. S. C.; Hossain, M., Design, synthesis, and evaluation of potential inhibitors of brassinin glucosyltransferase, a phytoalexin detoxifying enzyme from Sclerotinia sclerotiorum Bioorg. Med. Chem. 15 , 5981, (2007) 摘要
- 9. J. Med. Chem. 15 , 149, (1972) 摘要
- 10. Bioorg. Med. Chem. 12 , 5505, (2004) 摘要
- 11. J. Am. Chem. Soc. 77 , 457, (1995)
- 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
安全信息
GHS Symbol
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P305+P351+P338
- H315 Causes skin irritation 会刺激皮肤
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- H317 May cause an allergic skin reaction 可能导致皮肤过敏
- H302 Harmful if swallowed 吞食有害
- H319 Causes serious eye irritation 严重刺激眼睛
- 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；
- S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- R22 Harmful if swallowed 吞咽有害
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Donors
1
H-bond Acceptors
2
Rotatable Bonds
1
LogP
9.415000000000000e-001
