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MPC 6827 hydrochloride

CAT: 0607-B7788-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7788-50Size:50 mg
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Description
Potent microtubule inhibitor
CAS Number
917369-31-4
Product Name Alternative
N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine hydrochloride
Field of Research
Cell Cycle Checkpoint Microtubule Tubulin
Purity
0.9966
Solubility
≥10.55 mg/mL in DMSO; ≥28.1 mg/mL in EtOH; ≥5 mg/mL in H2O
Smiles
CN(C(C=C1)=CC=C1OC)C2=NC(C)=NC3=CC=CC=C23.Cl
Molecular Formula
C17H17N3O·HCl
Molecular Weight
315.8
Shipping Conditions
Room Temperature
Storage Conditions
Desiccate at RT.

Chemical Information

Verubulin Hydrochloride

Verubulin Hydrochloride is the hydrochloride salt form of verubulin, a quinazoline derivative with potential dual antineoplastic activities. Verubulin binds to and inhibits tubulin polymerization and interrupts microtubule formation, resulting in disruption of mitotic spindle assembly, cell cycle arrest in the G2/M phase, and cell death. This agent is not a substrate for several subtypes of multidrug resistance ABC transporters, such as P-glycoprotein, multidrug resistance-associated protein 1 (MRP1), and breast cancer resistance protein 1 (BCRP1); therefore, it may be useful for treating multidrug resistant (MDR) tumors that express these transporters. In addition, as a vascular disrupting agent (VDA), verubulin appears to disrupt tumor microvasculature specifically, which may result in acute ischemia and massive tumor cell death.

CAS Number917369-31-4
PubChem CID11638255
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;hydrochloride
Molecular FormulaC17H18ClN3O
Molecular Weight315.8
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity330
SMILES
CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC.Cl
InChI
InChI=1S/C17H17N3O.ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;/h4-11H,1-3H3;1H
InChIKey
VYUWDIKZJLOZJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Verubulin Hydrochloride
CAS: 917369-31-4
CID: 11638255
Formula: C17H18ClN3O
MW: 315.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass315.1138399
Monoisotopic Mass315.1138399
Topological Polar Surface Area38.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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