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MK-8353 (SCH900353)

CAT: 0926-JXB17373-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-JXB17373-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1184173-73-6
MDL Number
MFCD31657387
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
Molecular Formula
C37H41N9O3S
Molecular Weight
691.84 g/mol
Controlled
No

Chemical Information

Mk-8353

MK-8353 is a member of the class of indazoles that is 1H-indazole substituted by a 6-(propan-2-yloxy)pyridin-3-yl group at position 3 and by a {[(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)pyrrolidin-3-yl]carbonyl}amino group at position 5. It is a potent and selective inhibitor of ERK1 and ERK2 in vitro (IC50 values of 23.0 nM and 8.8 nM, respectively). The drug is being developed by Merck Sharp & Dohme and is currently in clinical development for the treatment of advanced/metastatic solid tumors. It has a role as an antineoplastic agent, an apoptosis inducer and an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a secondary carboxamide, a tertiary carboxamide, a member of pyridines, an aromatic ether, a member of triazoles, a member of indazoles, a pyrrolidinecarboxamide, a N-alkylpyrrolidine, a dihydropyridine and a methyl sulfide.

CAS Number1184173-73-6
PubChem CID58282870
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
Molecular FormulaC37H41N9O3S
Molecular Weight691.8
XLogP4.3
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count50
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
InChI
InChI=1S/C37H41N9O3S/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)/t37-/m0/s1
InChIKey
KPQQGHGDBBJGFA-QNGWXLTQSA-N
Chemical Structure
2D Structure
2D structure of Mk-8353
CAS: 1184173-73-6
CID: 58282870
Formula: C37H41N9O3S
MW: 691.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight691.8
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass691.30530738
Monoisotopic Mass691.30530738
Topological Polar Surface Area159 Ų
Heavy Atom Count50
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 Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C13603-25mgMK-8353 (SCH900353)
A16838-1MK-8353 (SCH900353) 1mg
A16838-50MK-8353 (SCH900353) 50mg
A16838-25MK-8353 (SCH900353) 25mg
A16838-2MK-8353 (SCH900353) 2mg
A16838-10MK-8353 (SCH900353) 10mg
A16838-100MK-8353 (SCH900353) 100mg
A16838-5MK-8353 (SCH900353) 5mg
A16838-10mM-DMK-8353 (SCH900353) 10mM * 1mL in DMSO
BA6431-10MK-8353

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