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ADAMTS-5-IN-2

CAT: 0931-T72868-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72868-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
294648-66-1
Target
Protease
Related Pathways
Proteases/Proteasome
Bioactivity
ADAMTS-5-IN-2 is a potent inhibitor of ADAMTS-5, exhibiting an IC50 of 0.71 μM, and holds potential for osteoarthritis research.
Smiles
O=C1C2(C=3C(N1)=CC=C(CC)C3)SC(=NN2)C4=CC=CC=C4
Molecular Formula
C17H15N3OS
Molecular Weight
309.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adamts-5-IN-2
CAS Number294648-66-1
PubChem CID3136571
IUPAC Name5-ethyl-5'-phenylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
Molecular FormulaC17H15N3OS
Molecular Weight309.4
XLogP3.9
Topological Polar Surface Area78.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity488
SMILES
CCC1=CC2=C(C=C1)NC(=O)C23NN=C(S3)C4=CC=CC=C4
InChI
InChI=1S/C17H15N3OS/c1-2-11-8-9-14-13(10-11)17(16(21)18-14)20-19-15(22-17)12-6-4-3-5-7-12/h3-10,20H,2H2,1H3,(H,18,21)
InChIKey
ICJWVAKZQXYHBB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adamts-5-IN-2
CAS: 294648-66-1
CID: 3136571
Formula: C17H15N3OS
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass309.09358328
Monoisotopic Mass309.09358328
Topological Polar Surface Area78.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity488
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

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BA7133-5ADAMTS-5-IN-3
561427ADAMTS-5 Inhibitor
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