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Gü2602

CAT: 0931-T60838-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T60838-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1627094-88-5
Target
Cysteine Protease, Others
Related Pathways
Others, Proteases/Proteasome
Bioactivity
Gü2602 inhibits the cathepsin K zymogen autocatalytic activation that is a potent, reversible inhibitor of cathepsin K (CatK) with a Ki of 0.013 nM for mature CatK (mCatK) [1].
Smiles
CN(Cc1ccccc1)C(=O)CN(NC(=O)OC(C)(C)C)C#N
Molecular Formula
C16H22N4O3
Molecular Weight
318.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 118716318
CAS Number1627094-88-5
PubChem CID118716318
IUPAC Nametert-butyl N-[[2-[benzyl(methyl)amino]-2-oxoethyl]-cyanoamino]carbamate
Molecular FormulaC16H22N4O3
Molecular Weight318.37
XLogP2.5
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
CC(C)(C)OC(=O)NN(CC(=O)N(C)CC1=CC=CC=C1)C#N
InChI
InChI=1S/C16H22N4O3/c1-16(2,3)23-15(22)18-20(12-17)11-14(21)19(4)10-13-8-6-5-7-9-13/h5-9H,10-11H2,1-4H3,(H,18,22)
InChIKey
LHJKRUYOLRIDGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 118716318
CAS: 1627094-88-5
CID: 118716318
Formula: C16H22N4O3
MW: 318.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight318.37
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass318.16919058
Monoisotopic Mass318.16919058
Topological Polar Surface Area85.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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