Products for Research Use Only
RegisterLogin

Polfurmetinib (hydrate)

CAT: 0804-HY-153445ASize: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-153445ASize:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Polfurmetinib (MEK-IN-6) hydrate (compound 69) is a MEK inhibitor. Polfurmetinib hydrate has an IC50 of 2 nM for A375 cells[1].
CAS Number
2845153-35-5
Product Name Alternative
MEK-IN-6 (hydrate)
UNSPSC
12352005
Target
MEK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mek-in-6-hydrate.html
Solubility
10 mM in DMSO
Smiles
O=C1C=C2C(C(N(CC2)OCCO)=O)=C(N1C)NC3=CC=C(C=C3F)SC.O
Molecular Formula
C18H22FN3O5S
Molecular Weight
411.45
References & Citations
[1]Shelley Allen, et al. 3,4-dihydro-2,7-naphthyridine-1,6 (2h,7h) -diones as mek inhibitors. WO2022208391A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MEK

Chemical Information

MEK-IN-6 (hydrate)
CAS Number2845153-35-5
PubChem CID165386440
IUPAC Name8-(2-fluoro-4-methylsulfanylanilino)-2-(2-hydroxyethoxy)-7-methyl-3,4-dihydro-2,7-naphthyridine-1,6-dione;hydrate
Molecular FormulaC18H22FN3O5S
Molecular Weight411.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity669
SMILES
CN1C(=O)C=C2CCN(C(=O)C2=C1NC3=C(C=C(C=C3)SC)F)OCCO.O
InChI
InChI=1S/C18H20FN3O4S.H2O/c1-21-15(24)9-11-5-6-22(26-8-7-23)18(25)16(11)17(21)20-14-4-3-12(27-2)10-13(14)19;/h3-4,9-10,20,23H,5-8H2,1-2H3;1H2
InChIKey
CDXHDFBWQJOMDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MEK-IN-6 (hydrate)
CAS: 2845153-35-5
CID: 165386440
Formula: C18H22FN3O5S
MW: 411.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass411.12642015
Monoisotopic Mass411.12642015
Topological Polar Surface Area108 Ų
Heavy Atom Count28
Formal Charge0
Complexity669
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

Related Products

CatalogName
HY-153445-01Polfurmetinib
HY-127018AMaltoheptaose (hydrate)
HY-112467Tivozanib (hydrate)
HY-B0117D-01Tigecycline (hydrate)
HY-N0153ANaringin (hydrate)
HY-N0355-01(+) -Catechin hydrate
HY-145015ATuspetinib (hydrate)
HY-D0858C-01MES (hydrate)
HY-B0307AIdoxuridine (hydrate)
HY-W127737-01Methylcobalamin (hydrate)

Alternative Products

CatalogName
E6718-01Polfurmetinib
166908-01Trichloroacetaldehyde Hydrate (Chloral Hydrate) discontinued
N1055Neomycin Trisulfate Hydrate (Fradiomycin Trisulfate Hydrate)
EB0452Esculin, hydrate
B1226-5.1Fluconazole hydrate
A3511-5Ivacaftor hydrate
A2036-5.1Doripenem Hydrate
B2142-5Cefprozil hydrate
C3991-500Cefadroxil (hydrate)
C8713-25Grazoprevir hydrate

Popular Products