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SM1-71

CAT: 0931-T36680Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T36680Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088179-99-9
Target
FGFR, LIM Kinase, Serine/threonin kinase, MAPK, TGF-beta/Smad, Src, S6 Kinase, AAK1
Related Pathways
Neuroscience, Tyrosine Kinase/Adaptors, PI3K/Akt/mTOR signaling, Cell Cycle/Checkpoint, Angiogenesis, MAPK, Metabolism, Stem Cells
Purity
0.96
Bioactivity
SM1-71 is a potent multi-targeted acrylamide-modified TAK1 inhibitor that inhibits MKNK2, MAP2K1/2/3/4/6/7, GAK, AAK1, BMP2K, MAP3K7, MAPKAPK5, GSK3A/B, MAPK1/3, SRC, YES1, FGFR1, ZAK (MLTK), MAP3K1, LIMK1 and RSK2.SM1-71 can be used as a kinase probe with anticancer activity and inhibits the proliferation of various cancer cell lines.
Smiles
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1
Molecular Formula
C24H26ClN7O
Molecular Weight
463.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 131801160
CAS Number2088179-99-9
PubChem CID131801160
IUPAC NameN-[2-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC24H26ClN7O
Molecular Weight464.0
XLogP4.3
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity636
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4NC(=O)C=C)Cl
InChI
InChI=1S/C24H26ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h3-11,16H,1,12-15H2,2H3,(H,28,33)(H2,26,27,29,30)
InChIKey
SCMLGVPMSXTUNC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 131801160
CAS: 2088179-99-9
CID: 131801160
Formula: C24H26ClN7O
MW: 464.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.0
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass463.1887362
Monoisotopic Mass463.1887362
Topological Polar Surface Area85.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity636
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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