Basic information
- CAS
890764-36-0- Standard SMILES
O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1- InChIKey
KIALCSMRIHRFPL-UHFFFAOYSA-N- Molecular formula
- C22H16N4O3
- Average molar mass
- 384.4 g/mol
- Monoisotopic mass
- 384.12224039
Overview
an mGluR5 positive allosteric modulator; structure in first source
Names & identifiers
- Preferred name
- N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
- IUPAC
- N-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide
- English name
- VU-29
- Molecular formula
- C22H16N4O3
- Molecular weight
- 384.39
Names & synonyms
4-nitro-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamideN-(1,3-Diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamideVU-29 compoundRefChem:194650890764-36-0VU-29VU 29N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitrobenzamideDPAPN-(2,5-DIPHENYLPYRAZOL-3-YL)-4-NITROBENZAMIDEVU29CHEMBL411221
Show more names
VU-29/VU29VU-29 ，S1970VU-29, 10 mM in DMSOBenzaMide, N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitro-mGluR,hippocampal,inhibit,rat,LTP,VU29,potentiator,VU-29,allosteric,Metabotropic glutamate receptors,Inhibitor,LTD
GTPL6403DTXSID60469437EX-A4560BDBM50187615AKOS005266482AKOS040745416NCGC00370929-02N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-nitro-benzamide
Database identifiers
- CAS
890764-36-0- PubChem CID
- 11610682
- DTXSID
DTXSID60469437
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 561
Physicochemical properties
- Melting point
- 221 · 221-223℃
- Boiling point
- 545 · 545.0±45.0 °C(Predicted)
- Density
- 1.3 · 1.30
- storage temp.
- Store at RT
- solubility
- 100 mM · Soluble to 100 mM in DMSO
- form
- Powder
- pka
- 11.17 · 11.17±0.70(Predicted)
- color
- Light yellow to yellow
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationREACH registered substance: DPAP (EC: 415-520-7)
Chemistry & industry
Applications
UsesDPAP is a potent, postive allosteric, potentiator at mGluR-5.
Suppliers46 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [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]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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