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Gü2602

CAT: 0013-GTR19187622-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187622-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gü2602 is a potent and reversible inhibitor of mature cathepsin K (mCatK), exhibiting a Ki of 0.013 nM. It functions by blocking the autocatalytic activation of the cathepsin K zymogen. This inhibitor is a valuable research tool for studying bone resorption and osteoporosis in both cellular and animal models.
CAS Number
1627094-88-5
Field of Research
Protein Biochemistry
Smiles
CN (Cc1ccccc1) C (=O) CN (NC (=O) OC (C) (C) C) C#N
Molecular Formula
C16H22N4O3
Molecular Weight
318.37
Storage Conditions
-20°C
Notes
For research use only.

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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