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MK-8353 (SCH900353) - 10mM in DMSO, high purity , CAS No.1184173-73-6, Inhibitor of mitogen-activated protein kinase 1;Inhibitor of mitogen-activated protein kinase 3

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M420811
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M420811-1ml
1ml
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$668.90
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ERK Inhibitors

View related series
Compound libraries (12325)

Basic Description

Synonyms 3-​Pyrrolidinecarboxami​de,1-​[2-​[3,​6-​dihydro-​4-​[4-​(1-​methyl-​1H-​1,​2,​4-​triazol-​3-​yl)​phenyl]​-​1(2H)​-​pyridinyl]​-​2-​oxoethyl]​-​N-​[3-​[6-​(1-​methylethoxy)​-​3-​pyridinyl]​-​1H-​indazol-​5-​yl]​-​3-​(methylthio)​-​,(3S)​-
Specifications & Purity Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms MK-8353 (SCH900353) is an orally bioavailable, selective, and potent ERK inhibitor that inhibits activated ERK1 and ERK2 in vitro, with IC50 values of 23.0 nM and 8.8 nM, respectively (IMAP kinase assay), and nonactivated ERK2, with an IC50 of 0.5 nM (MEK
Storage Temp Store at -80°C
Shipped In
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This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of mitogen-activated protein kinase 1;Inhibitor of mitogen-activated protein kinase 3
Product Description

Information

MK-8353 (SCH900353) MK-8353 (SCH900353) is an orally bioavailable, selective, and potent ERK inhibitor that inhibits activated ERK1 and ERK2 in vitro, with IC50 values of 23.0 nM and 8.8 nM, respectively (IMAP kinase assay), and nonactivated ERK2, with an IC50 of 0.5 nM (MEK1-ERK2-coupled assay).

Targets

ERK2 (Cell-free assay); ERK1 (Cell-free assay) 7 nM; 20 nM

In vitro

MK-8353 is a potent and selective inhibitor of both active and inactive ERK1 and ERK2 kinases (IC50=20 and 7 nM, respectively). MK-8353 is not a potent inhibitor of human CYPs 1A2, 2C9, 2C19 or 2D6 but inhibits CYP 3A4 (pre-incubation) in vitro and shows inhibition of CYP 3A4 and 2C8 (IC50 = 1.7 & 3.5 μM), which can cause drug-drug interactions when co administered with drugs that are primarily metabolized by CYP 2C8 or 3A4. MK-8353 is a weak inhibitor of hERG current, producing 16% inhibition at 0.6 μM. The IC50 values for inhibiting cell prolifertion are 371, 51, and 23 nM in A2058, HT-29, and Colo-205 cells respectively. In addition to inhibiting the kinase activity of ERK, MK-8353 prevents the phosphorylation of ERK by MEK. MK-8353 demonstrates kinase selectivity over a 227-human kinase panel; no additional kinase in the panel is inhibited by more than 35% at the 0.1 μM concentration, and only 3 kinases (CLK2, FLT4, and Aurora B) are inhibited >50% at the 1.0 μM concentration.

In vivo

The in vivo pharmacokinetics and metabolism of MK-8353 are evaluated in male CD1 mice, Sprague Dawley (SD) rats, guinea pigs, beagle dogs, and cynomologus monkeys. With the exception of monkeys, MK-8353 shows moderate clearance after IV administration in all species, with a half-life range of 1.3-2.8 hr and a mean residence time range of 1.5-4.0 hr. Acceptable oral bioavailability is seen in mice, rats and dogs (23-80%) but low oral bioavailability in monkeys (2%). The permeability observed in Caco-2 cells was high (135 nm/sec), suggesting that intestinal absorption and permeability in humans should also be high. The steady-state volume of distribution in mice, dogs and monkeys are in the range of 0.9-3.3 L/kg, while in rats it is 0.1 L/kg. MK-8353 displays anti-tumor efficacy in several BRAF-mutant models.

Cell Research(from reference)

Cell lines：A2058 cells 

Concentrations：0, 3, 10, 30, 100, 300 nM 

Incubation Time：24 hours 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyridines and derivatives
Subclass Pyrazolylpyridines
Intermediate Tree Nodes Not available
Direct Parent Pyrazolylpyridines
Alternative Parents Phenyl-1,2,4-triazoles  Alpha amino acids and derivatives  Indazoles  N-arylamides  Pyrrolidinecarboxamides  Alkyl aryl ethers  Benzene and substituted derivatives  Hydropyridines  N-alkylpyrrolidines  Tertiary carboxylic acid amides  Heteroaromatic compounds  Pyrazoles  Trialkylamines  Secondary carboxylic acid amides  Azacyclic compounds  Sulfenyl compounds  Dialkylthioethers  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 3-pyrazolylpyridine - Phenyl-1,2,4-triazole - Phenyltriazole - Alpha-amino acid or derivatives - Benzopyrazole - Indazole - N-arylamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Alkyl aryl ether - Monocyclic benzene moiety - Hydropyridine - Benzenoid - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrazole - 1,2,4-triazole - Pyrrolidine - Tertiary carboxylic acid amide - Triazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Sulfenyl compound - Thioether - Dialkylthioether - Carboxylic acid derivative - Ether - Azacycle - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a bond.
External Descriptors Not available

Product Properties

ALogP 4.176
hba_count 7
HBD Count 2
Rotatable Bond 10

Associated Targets(Human)

MAPK1 Tchem Mitogen-activated protein kinase 1 (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
MAPK3 Tchem Mitogen-activated protein kinase 3 (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAPK3 Tchem MAP kinase ERK1 (4725 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A2058 (690 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
COLO 205 (50209 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MAPK3 Tchem Mitogen-activated protein kinase; ERK1/ERK2 (651 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cavia porcellus (23802 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rhesus monkey (3147 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

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-yloxypyridin-3-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
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
Smiles CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SC
Isomeric 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
MeSH Entry Terms (3S)-N-(3-(6-Isopropoxy-3-pyridinyl)-1H-indazol-5-yl)-3-(methylsulfanyl)-1-(2-(4-(4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)-3,6-dihydro-1(2H)-pyridinyl)-2-oxoethyl)-3-pyrrolidinecarboxamide;3-Pyrrolidinecarboxamide, 1-(2-(3,6-dihydro-4-(4-(1-methyl-1H-1,2
Molecular Weight 691.84
Reaxy-Rn 43185163
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43185163&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility 50
DMSO(mM) Max Solubility 72.2710453283996
Water(mg / mL) Max Solubility ＜1
Molecular Weight 691.800 g/mol
XLogP3 4.300
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 10
Exact Mass 691.305 Da
Monoisotopic Mass 691.305 Da
Topological Polar Surface Area 159.000 Ų
Heavy Atom Count 50
Formal Charge 0
Complexity 1220.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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