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MK-0674

CAT: 1410-M33431-01Size: 1 EachDry Ice: NoHazardous: No
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Description
MK-0674 is an orally available, selective and potent cathepsin K inhibitor (IC50: 0.4 nM) that inhibits Cat B, Cat F, Cat L, and Cat S. It can be used in metabolism-related diseases.
CAS Number
887781-62-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
527.5
Molecular Formula
C26H27F6N3O2
Notes
Research use only, not for human use.
Receptor
Cysteine Protease

Chemical Information

MK-0674

structure in first source

CAS Number887781-62-6
PubChem CID16666183
IUPAC Name(2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide
Molecular FormulaC26H27F6N3O2
Molecular Weight527.5
XLogP4.9
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity822
SMILES
CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)[C@H](C(F)F)O)C(F)(F)F)F
InChI
InChI=1S/C26H27F6N3O2/c1-24(2,29)13-19(23(37)35-25(14-33)11-12-25)34-21(26(30,31)32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(36)22(27)28/h3-10,19-22,34,36H,11-13H2,1-2H3,(H,35,37)/t19-,20+,21-/m0/s1
InChIKey
YTEORGORWDMMRK-HBMCJLEFSA-N
Chemical Structure
2D Structure
2D structure of MK-0674
CAS: 887781-62-6
CID: 16666183
Formula: C26H27F6N3O2
MW: 527.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight527.5
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass527.20074608
Monoisotopic Mass527.20074608
Topological Polar Surface Area85.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity822
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MKB78162-01MK-0674
A21558-10MK-0674 10mg
A21558-50MK-0674 50mg
A21558-1MK-0674 1mg
A21558-25MK-0674 25mg
A21558-5MK-0674 5mg
A21558-2MK-0674 2mg
324068-01MK
167912Midkine (MK, MK1, MK-1, MK 1) discontinued
MBS131426MK-4101 (MK 4101; MK4101)

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