NCGC00229600

For research use only. Not for therapeutic Use.

  • CAT Number: I012371
  • CAS Number: 1338824-20-6
  • Molecular Formula: C30H29N3O3
  • Molecular Weight: 479.57
  • Purity: ≥95%
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NCGC00229600 is an allosteric inverse agonist of thyrotropin receptor (TSHR). NCGC00229600 inhibits both TSH and stimulating antibody activation of TSHRs endogenously expressed in Graves’ disease[1].


Catalog Number I012371
CAS Number 1338824-20-6
Synonyms

2-[3-[(2,6-dimethylphenoxy)methyl]-4-methoxyphenyl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one

Molecular Formula C30H29N3O3
Purity ≥95%
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
SMILES CC1=C(C(=CC=C1)C)OCC2=C(C=CC(=C2)C3NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5)OC
Reference

[1]. Neumann S, et al. A new small-molecule antagonist inhibits Graves’ disease antibody activation of the TSH receptor. J Clin Endocrinol Metab. 2011 Feb;96(2):548-54.
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