Basic information
- CAS
4993-87-7- Standard SMILES
O=[N+]([O-])c1ccc2[nH]c(-c3ccccc3)cc2c1- InChIKey
UNJRQDPTLDVHOR-UHFFFAOYSA-N- Molecular formula
- C14H10N2O2
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.07422757
Names & identifiers
- Preferred name
- 5-Nitro-2-phenyl-1H-indole
- IUPAC
- 5-nitro-2-phenyl-1H-indole
- English name
- 5-Nitro-2-phenyl-1H-indole
- Molecular formula
- C14H10N2O2
- Molecular weight
- 238.24
Names & synonyms
5-Nitro-2-phenyl-1H-indole4993-87-7DTXSID20299656RefChem:304406DTXCID10250791INF55INF-555-nitro-2-phenylindole1H-Indole, 5-nitro-2-phenyl-NSC131894CHEMBL4692662-phenyl-5-nitro-1H-indole
Show more names
MFCD004462202-phenyl-5-nitroindoleCambridge id 5107950CBDivE_002236INF-55,INF55orb1700342SCHEMBL1465536SCHEMBL30054382
Database identifiers
- CAS
4993-87-7- PubChem CID
- 280309
- DTXSID
DTXSID20299656- ChEMBL
CHEMBL469266- Nikkaji
- J1.208.975I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 234 · 234-235 °C
- Boiling point
- 477.5 · 477.5±25.0 °C(Predicted)
- Density
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 15.05 · 15.05±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesINF55 is a NoA multidrug resistance pump inhibitor with the activity of inhibiting the NoA pump. The heterocomplex formed by INF55 combined with berberine shows the potential to combat the resistance of bacterial compounds. INF55 can enhance the antibacterial activity of berberine by reducing its efflux. The structural variants of INF55 can show different NoA inhibitory activities, thereby affecting the antibacterial effect of its corresponding heterocomplexes. Different derivatives of INF55 show similar activity in terms of antibacterial dose and effectiveness[1].
Suppliers14 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
15 records
Compound notes
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