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GCase modulator-1

CAT: 0931-T82330-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T82330-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
796079-91-9
Target
Glucosidase, glycosidase
Related Pathways
Metabolism
Bioactivity
GCase Modulator-1 (Compound 9g), a quinazoline derivative, functions as a glucosidase modulator with an AC50 value of 2.23 μM [1].
Smiles
N1=CC=CC(=C1)C2=NC=3C=CC=CC3C(=N2)N4CC=5C=CC=CC5CC4
Molecular Formula
C22H18N4
Molecular Weight
338.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)quinazoline
CAS Number796079-91-9
PubChem CID2456582
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylquinazoline
Molecular FormulaC22H18N4
Molecular Weight338.4
XLogP4.1
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity469
SMILES
C1CN(CC2=CC=CC=C21)C3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5
InChI
InChI=1S/C22H18N4/c1-2-7-18-15-26(13-11-16(18)6-1)22-19-9-3-4-10-20(19)24-21(25-22)17-8-5-12-23-14-17/h1-10,12,14H,11,13,15H2
InChIKey
JKPCEULHIROZLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)quinazoline
CAS: 796079-91-9
CID: 2456582
Formula: C22H18N4
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass338.153146591
Monoisotopic Mass338.153146591
Topological Polar Surface Area41.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity469
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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