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MK-8033 hydrochloride

CAT: 0931-T12068-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T12068-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1283000-43-0
Target
C-Met/HGFR, Others
Related Pathways
Tyrosine Kinase/Adaptors, Others
Bioactivity
MK-8033 hydrochloride is an effective and orally active dual inhibitor of ATP competitive c-Met/Ron, with 1 nM for c-Met and 7nM for Ron IC50. MK-8033 hydrochloride has a high affinity for activated kinase conformation, and is suitable for the study of breast cancer, bladder cancer, and non-small cell lung cancer (NSCLC) .
Smiles
Cl.Cn1cc(cn1)-c1cnc2ccc3ccc(CS(=O)(=O)NCc4ccccn4)cc3c(=O)c2c1
Molecular Formula
C25H22ClN5O3S
Molecular Weight
507.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MK-8033 hydrochloride
CAS Number1283000-43-0
PubChem CID51030992
IUPAC Name1-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide;hydrochloride
Molecular FormulaC25H22ClN5O3S
Molecular Weight508.0
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity859
SMILES
CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)CS(=O)(=O)NCC5=CC=CC=N5)N=C2.Cl
InChI
InChI=1S/C25H21N5O3S.ClH/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21;/h2-13,15,29H,14,16H2,1H3;1H
InChIKey
BKIQDRGTLKPYCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MK-8033 hydrochloride
CAS: 1283000-43-0
CID: 51030992
Formula: C25H22ClN5O3S
MW: 508.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass507.1131884
Monoisotopic Mass507.1131884
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity859
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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