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Aderamastat

CAT: 0013-GTR19244213-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244213-07Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Aderamastat (FP-025) is an orally active matrix metalloproteinase 12 (MMP-12) inhibitor. Aderamastat can be used for the research of asthma, chronic obstructive pulmonary disease (COPD), and pulmonary fibrosis.
CAS Number
877176-23-3
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (253.52 mM; Ultrasonic)
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
Storage temperature: -20°C. Stability: ≥ 2 years
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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