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MK-8353 (hydrochloride)

CAT: 0804-HY-111407ASize: 1 EachDry Ice: NoHazardous: No
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Description
MK-8353 (SCH900353) hydrochloride is a potent, selective, orally active ERK1/2 inhibitor with IC50 values of 23.0 nM and 8.8 nM, respectively. MK-8353 exhibits antitumor activity[1].
CAS Number
1951448-73-9
Product Name Alternative
SCH900353 (hydrochloride) ; MK-8353-001
UNSPSC
12352005
Target
ERK
Related Pathways
MAPK/ERK Pathway; Stem Cell/Wnt
Field of Research
Cancer
Smiles
O=C([C@@]1(SC)CN(CC(N2CC=C(C3=CC=C(C4=NN(C)C=N4)C=C3)CC2)=O)CC1)NC5=CC6=C(NN=C6C7=CC=C(OC(C)C)N=C7)C=C5.Cl
Molecular Formula
C37H42ClN9O3S
Molecular Weight
728.31
References & Citations
[1]Moschos SJ, et al. Development of MK-8353, an orally administered ERK1/2 inhibitor, in patients with advanced solid tumors. JCI Insight. 2018 Feb 22;3 (4) . pii: 92352.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ERK1; ERK2

Chemical Information

(S)-N-(3-(6-Isopropoxypyridin-3-yl)-1H-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)-2-oxoethyl)-3-(methylthio)pyrrolidine-3-carboxamide hydrochloride
CAS Number1951448-73-9
PubChem CID121412745
IUPAC Name(3S)-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide;hydrochloride
Molecular FormulaC37H42ClN9O3S
Molecular Weight728.3
Topological Polar Surface Area159
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count51
Formal Charge0
Complexity1220
SMILES
CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)[C@@]4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SC.Cl
InChI
InChI=1S/C37H41N9O3S.ClH/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35;/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42);1H/t37-;/m0./s1
InChIKey
MAEYDGFPLZDKHE-JFRIYMKVSA-N
Chemical Structure
2D Structure
2D structure of (S)-N-(3-(6-Isopropoxypyridin-3-yl)-1H-indazol-5-yl)-1-(2-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydropyridin-1(2H)-yl)-2-oxoethyl)-3-(methylthio)pyrrolidine-3-carboxamide hydrochloride
CAS: 1951448-73-9
CID: 121412745
Formula: C37H42ClN9O3S
MW: 728.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight728.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass727.2819851
Monoisotopic Mass727.2819851
Topological Polar Surface Area159 Ų
Heavy Atom Count51
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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