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Aderamastat

CAT: 0013-GTR19217519-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19217519-02Size:5 mg
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Description
Aderamastat (FP-025) is an orally bioavailable, selective inhibitor of matrix metalloproteinase 12 (MMP-12) . This small molecule research compound is used to investigate MMP-12's role in respiratory pathologies, including allergic asthma, COPD, and pulmonary fibrosis, in both in vitro and in vivo preclinical models.
CAS Number
877176-23-3
Product Name Alternative
FP-003, FP-025, MMP-12
Field of Research
Protein Biochemistry
Purity
99.35% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (8.37 mM) ; DMSO:80 mg/mL (202.82 mM)
Smiles
O=C1NC (=O) C (N1) C=2OC=CC2SC3=CC=C (OCC=4C=CC=C (C4) C) C=C3
Molecular Formula
C21H18N2O4S
Molecular Weight
394.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aderamastat
CAS Number877176-23-3
PubChem CID67177374
IUPAC Name5-[3-[4-[(3-methylphenyl)methoxy]phenyl]sulfanylfuran-2-yl]imidazolidine-2,4-dione
Molecular FormulaC21H18N2O4S
Molecular Weight394.4
XLogP3.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity567
SMILES
CC1=CC(=CC=C1)COC2=CC=C(C=C2)SC3=C(OC=C3)C4C(=O)NC(=O)N4
InChI
InChI=1S/C21H18N2O4S/c1-13-3-2-4-14(11-13)12-27-15-5-7-16(8-6-15)28-17-9-10-26-19(17)18-20(24)23-21(25)22-18/h2-11,18H,12H2,1H3,(H2,22,23,24,25)
InChIKey
CXEKSVVDMIAMLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aderamastat
CAS: 877176-23-3
CID: 67177374
Formula: C21H18N2O4S
MW: 394.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass394.09872823
Monoisotopic Mass394.09872823
Topological Polar Surface Area106 Ų
Heavy Atom Count28
Formal Charge0
Complexity567
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
BA8020-10Aderamastat

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