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M4K2234

CAT: 0931-T74660-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T74660-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2421141-51-5
Target
ALK
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.9999
Bioactivity
M4K2234 (Compound 26b) is a selective inhibitor of ALK2, displaying IC50 values of 5 nM for ALK2 and 2144 nM for ALK5. As a chemical probe for ALK1 and ALK2 kinases, it is used in mechanistic studies of BMP signaling and in cancer research where dysregulated ALK2 activity is implicated. Its high selectivity profile supports targeted investigations into ALK-mediated pathways.
Smiles
O=C(N)C1=C(F)C=C(C=C1OC)C2=CN=CC(C3=CC=C(C=C3)N4CCN(CC4)C(C)C)=C2C
Molecular Formula
C27H31FN4O2
Molecular Weight
462.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
CAS Number2421141-51-5
PubChem CID155548898
IUPAC Name2-fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
Molecular FormulaC27H31FN4O2
Molecular Weight462.6
XLogP4.2
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity663
SMILES
CC1=C(C=NC=C1C2=CC=C(C=C2)N3CCN(CC3)C(C)C)C4=CC(=C(C(=C4)F)C(=O)N)OC
InChI
InChI=1S/C27H31FN4O2/c1-17(2)31-9-11-32(12-10-31)21-7-5-19(6-8-21)22-15-30-16-23(18(22)3)20-13-24(28)26(27(29)33)25(14-20)34-4/h5-8,13-17H,9-12H2,1-4H3,(H2,29,33)
InChIKey
RIWTUJFFSTVYPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-3-pyridinyl]benzamide
CAS: 2421141-51-5
CID: 155548898
Formula: C27H31FN4O2
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass462.24310441
Monoisotopic Mass462.24310441
Topological Polar Surface Area71.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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