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Elastase-IN-1

CAT: 0931-T60855-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60855-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
678152-73-3
Target
Serine Protease, Others
Related Pathways
Proteases/Proteasome, Others
Bioactivity
Elastase-IN-1 (Compound Q11) is a non-toxic elastase inhibitor with an IC50 of 0.897 μM [1].
Smiles
C(=NNC(=O)C1=CC=C(N(=O)=O)C=C1)C2=NC3=C(C=C2)C=CC=C3
Molecular Formula
C17H12N4O3
Molecular Weight
320.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Elastase-IN-1
CAS Number678152-73-3
PubChem CID163408848
IUPAC Name4-nitro-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
Molecular FormulaC17H12N4O3
Molecular Weight320.30
XLogP3.3
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity483
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H12N4O3/c22-17(13-6-9-15(10-7-13)21(23)24)20-18-11-14-8-5-12-3-1-2-4-16(12)19-14/h1-11H,(H,20,22)/b18-11+
InChIKey
KKVPQRIQFHIWNN-WOJGMQOQSA-N
Chemical Structure
2D Structure
2D structure of Elastase-IN-1
CAS: 678152-73-3
CID: 163408848
Formula: C17H12N4O3
MW: 320.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.30
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass320.09094026
Monoisotopic Mass320.09094026
Topological Polar Surface Area100 Ų
Heavy Atom Count24
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-146070Elastase-IN-1
YP-W76712-01Canine Elastase 1 (Elastase 1) ELISA Kit
126259ELA1 (Chymotrypsin-like Elastase Family Member 1, Elastase-1, Pancreatic Elastase 1, CELA1)
GTR19221389-01Tyrosinase/elastase-IN-1
GTR19217570-01Elastase LasB-IN-1
GTR18027523Elastase-1 Antibody
549127Pancreatic Elastase 1
sc-517432Elastase-1 (4H5)
126259-PEELA1 (Chymotrypsin-like Elastase Family Member 1, Elastase-1, Pancreatic Elastase 1, CELA1) (PE)
MBS6152312-01ELA1 (Chymotrypsin-like Elastase Family Member 1, Elastase-1, Pancreatic Elastase 1, CELA1) (HRP)

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