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NCGC00229600

CAT: 0013-GTR19176573-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176573-04Size:10 mg
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Description
NCGC00229600 is a small molecule allosteric inverse agonist of the thyrotropin receptor (TSHR) . It effectively blocks receptor activation induced by both TSH and stimulating autoantibodies, making it a valuable research tool for investigating Graves' disease pathogenesis and potential therapeutics in both cellular and animal models.
CAS Number
1338824-20-6
Product Name Alternative
Graves, fibroblasts, endogenously, Inhibitor, inhibit, NCGC 00229600, NCGC00229600, NCGC-00229600, disease, antibody, cAMP, Thyroid-stimulating hormone Receptor, Thyrotropin receptor, thyrotropin receptor (TSHR), TSHReceptor, TSH Receptor
Field of Research
Pharmacology & Drug Discovery
Purity
99.27% (May vary between batches)
Solubility
DMSO:40 mg/mL (83.41 mM) ;10% DMSO+90% Corn Oil:2 mg/mL (4.17 mM)
Smiles
COc1ccc (cc1COc1c (C) cccc1C) C1Nc2ccccc2C (=O) N1Cc1cccnc1
Molecular Formula
C30H29N3O3
Molecular Weight
479.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[3-[(2,6-Dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(3-pyridinylmethyl)-1,2-dihydroquinazolin-4-one

2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(3-pyridinylmethyl)-1,2-dihydroquinazolin-4-one is a member of quinazolines.

CAS Number1338824-20-6
PubChem CID50897816
IUPAC Name2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one
Molecular FormulaC30H29N3O3
Molecular Weight479.6
XLogP5.4
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity710
SMILES
CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5)OC
InChI
InChI=1S/C30H29N3O3/c1-20-8-6-9-21(2)28(20)36-19-24-16-23(13-14-27(24)35-3)29-32-26-12-5-4-11-25(26)30(34)33(29)18-22-10-7-15-31-17-22/h4-17,29,32H,18-19H2,1-3H3
InChIKey
ODFGSMOTQLYMHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-[(2,6-Dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(3-pyridinylmethyl)-1,2-dihydroquinazolin-4-one
CAS: 1338824-20-6
CID: 50897816
Formula: C30H29N3O3
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass479.22089180
Monoisotopic Mass479.22089180
Topological Polar Surface Area63.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-18286-01NCGC00229600

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