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Vasicinone

CAT: 0013-GTR19166637-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19166637-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Vasicinone is a small molecule with hepatoprotective properties and demonstrates significant antitussive, expectorant, and bronchodilatory activities for respiratory research. The (S) -enantiomer also shows in vitro antiproliferative activity against human gastric cancer cell lines like MGC-803.
CAS Number
486-64-6
Product Name Alternative
Plant, stress, oxidative, quinazoline, vasica, Vasicinone, inhibit, Inhibitor, neurodegenerative, Parkinson, CYP17, disorders, Adhatoda, alkaloid
Purity
97.92% (May vary between batches)
Solubility
DMSO:12 mg/mL (59.34 mM)
Smiles
O[C@H]1CCn2c1nc1ccccc1c2=O
Molecular Formula
C11H10N2O2
Molecular Weight
202.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-Vasicinone

Vasicinone is a member of quinazolines.

CAS Number486-64-6
PubChem CID442935
IUPAC Name(3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Molecular FormulaC11H10N2O2
Molecular Weight202.21
XLogP0.4
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity327
SMILES
C1CN2C(=NC3=CC=CC=C3C2=O)[C@H]1O
InChI
InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
InChIKey
SDIVYZXRQHWCKF-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of (-)-Vasicinone
CAS: 486-64-6
CID: 442935
Formula: C11H10N2O2
MW: 202.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.21
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass202.074227566
Monoisotopic Mass202.074227566
Topological Polar Surface Area52.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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