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MK-0429

CAT: 1410-M13624-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M13624-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MK-0429 is a potent, selective, orally-active nonpeptide αvβ3 integrin inhibitor with IC50 of 0.08 nM in SPAV3 assay.
CAS Number
227963-15-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
439.51
Molecular Formula
C23H29N5O4
Notes
Research use only, not for human use.
Receptor
Integrin

Chemical Information

MK-0429
CAS Number227963-15-7
PubChem CID9853559
IUPAC Name(3S)-3-(6-methoxy-3-pyridinyl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
Molecular FormulaC23H29N5O4
Molecular Weight439.5
XLogP1.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity650
SMILES
COC1=NC=C(C=C1)[C@H](CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3
InChI
InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1
InChIKey
HGFOOLONGOBCMP-IBGZPJMESA-N
Chemical Structure
2D Structure
2D structure of MK-0429
CAS: 227963-15-7
CID: 9853559
Formula: C23H29N5O4
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass439.22195442
Monoisotopic Mass439.22195442
Topological Polar Surface Area108 Ų
Heavy Atom Count32
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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