Basic information
- CAS
890764-63-3- Standard SMILES
O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1- InChIKey
BRAZLURTFMCAHU-UHFFFAOYSA-N- Molecular formula
- C22H15FN4O3
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.11281852
Names & identifiers
- Preferred name
- VU-1545
- IUPAC
- N-[1-(2-fluorophenyl)-3-phenylpyrazol-5-yl]-4-nitrobenzamide
- English name
- N-[1-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]-4-nitrobenzamide
- Molecular formula
- C22H15FN4O3
- Molecular weight
- 402.38
Names & synonyms
890764-63-3VU 1545VU-1545VU1545N-[2-(2-fluorophenyl)-5-phenylpyrazol-3-yl]-4-nitrobenzamideDTXSID60469659N-(2-(2-fluorophenyl)-5-phenylpyrazol-3-yl)-4-nitrobenzamideRefChem:934132DTXCID10420477N-(1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl)-4-nitrobenzamideN-[1-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]-4-nitrobenzamideCHEMBL210846
Show more names
N-[2-(2-Fluoro-phenyl)-5-phenyl-2H-pyrazol-3-yl]-4-nitro-benzamideBenzamide, N-[1-(2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]-4-nitro-Metabotropic glutamate receptors,mGluR,PAM,inhibit,Inhibitor,VU1545,mGluR5,VU-1545
GTPL4059HMS2212K04BDBM50187644AKOS040745415NCGC00370849-01HY-16951Q27089197MLS002153008
Database identifiers
- CAS
890764-63-3- PubChem CID
- 11625520
- DTXSID
DTXSID60469659
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 602
Physicochemical properties
- Melting point
- 222 · 222-224 °C(Solv: ethanol (64-17-5))
- Boiling point
- 546 · 546.0±50.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 100 mM · Soluble to 100 mM in DMSO
- form
- Powder
- pka
- 11.04 · 11.04±0.70(Predicted)
- color
- Light yellow to yellow
Chemistry & industry
Applications
UsesVU 1545 is a positive allosteric modulator of mGluR-5.
Suppliers20 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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武汉易泰科技有限公司上海分公司18930552037 · [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]
United Life Science020-82099279 18988968278 · [email protected]
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天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Related reactions
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Compound notes
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