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About This Item
Empirical Formula (Hill Notation):
C33H31N3O7S
CAS Number:
Molecular Weight:
613.68
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
51111800
MDL number:
InChI
1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,35,37)
SMILES string
O=S(N(CC1=CC=CC=C1)C2=C(C(NO)=O)C=C(C)C=C2C)(C3=CC=C(OCCNC(C4=CC5=C(C=CC=C5)O4)=O)C=C3)=O
InChI key
FARMEEAGJWMFSZ-UHFFFAOYSA-N
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 25 mg/mL, clear
storage temp.
room temp
Quality Level
Biochem/physiol Actions
WAY 170523 is a potent and selective inhibitor of matrix metalloprotease MMP-13 (Collagenase-3), expressed in the skeleton during embryonic development, and sometimes highly overexpressed in human carcinomas and in chondrocytes and synovial cells in rheumatoid arthritis and osteoarthritis. Mutations in the MMP-13 gene has been shown to cause metaphyseal anadysplasia (MANDP). WAY 170523 has an IC50 of 17 nM for MMP-13 and showed >5800-, 56-, and >500-fold selectivity against MMP-1, MMP-9, and TACE (TNFα converting enzyme), respectively.
Other Notes
This compound was developed by Pfizer for Cytoskeleton & Extracellular Matrix research. To learn more about Sigma′s partnership with Pfizer and view other authentic, high-quality Pfizer compounds, visit sigma.com/bsm-pfizer.
Storage Class
11 - Combustible Solids
wgk
WGK 3
Regulatory Information
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