Verubulin
Basic information
- CAS
827031-83-4- Standard SMILES
COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1- InChIKey
SNHCRNMVYDHVDT-UHFFFAOYSA-N- Molecular formula
- C17H17N3O
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.13716217
Overview
Antineoplastic; a small-molecule inhibitor of microtubule formation that is not a substrate for multidrug resistance pumps.
Names & identifiers
- Preferred name
- Verubulin
- IUPAC
- N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
- English name
- Verubulin
- Molecular formula
- C17H17N3O
- Molecular weight
- 279.34
Names & synonyms
Verubulin827031-83-4N-(4-Methoxyphenyl)-N,2-dimethylquinazolin-4-amineMX-128495VerubulinaVerubulineX97O9FTB924-Quinazolinamine, N-(4-methoxyphenyl)-N,2-dimethyl-verubulinumRefChem:901822MPC 6827N-(4-methoxyphenyl)-N,2-dimethyl-quinazolin-4-amine
Show more names
MPC-6827MX 128495N-(4-Methoxyphenyl)-N,2-dimethyl-4-quinazolinamine4-QuinazolinaMine,N-(4-Methoxyphenyl)-N,2-diMethyl-(4-Methoxyphenyl)(methyl)(2-methylquinazolin-4-yl)amine
MPC-6827 (hydrochloride)Verubulin [USAN]Verubulin [USAN:INN]Verubulin, MPC-6827UNII-X97O9FTB92MFCD16495771Verubulin hydrochloride?VERUBULIN [INN]
Database identifiers
- CAS
827031-83-4- PubChem CID
- 11414799
- DTXSID
DTXSID201366166- ChEMBL
CHEMBL492399- UNII
- X97O9FTB92
- Nikkaji
- J2.852.199E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 86 · 86-90℃
- Boiling point
- 398.7 · 398.7±38.0 °C(Predicted)
- Density
- 1.189 · 1.189
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 125 mg/mL · DMSO: 125 mg/mL (447.48 mM)
- pka
- 6.33 · 6.33±0.50(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- FDA UNII
- 97 O9FTB92 · X97O9FTB92
Chemistry & industry
Applications
UsesVerubulin (MPC-6827) is a microtubule-disrupting agent with potent and broad-spectrum in vitro and in vivo cytotoxic activities, and acts as a promising candidate for the treatment of multiple cancer types[1].
Related reactions
1 records
Compound notes
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