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SGI-7079

CAT: 0957-S7847-02Size: 25 mgDry Ice: YesHazardous: No
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CAT#:0957-S7847-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SGI-7079, a novel selective Axl inhibitor with an IC50 of 58 nM in vitro, inhibits tumor growth in a dose dependent manner and is a potential therapeutic target for overcoming EGFR inhibitor resistance.
CAS Number
1239875-86-5
Target
Axl
Activity
Protein Tyrosine Kinase
Molecular Formula
C26H26FN7
Storage Conditions
2 years -80 in solvent

Chemical Information

2-(3-(2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)acetonitrile
CAS Number1239875-86-5
PubChem CID46870258
IUPAC Name2-[3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]acetonitrile
Molecular FormulaC26H26FN7
Molecular Weight455.5
XLogP4.3
Topological Polar Surface Area83.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity719
SMILES
CC1=CNC2=NC(=NC(=C12)C3=CC=CC(=C3)CC#N)NC4=CC(=C(C=C4)N5CCN(CC5)C)F
InChI
InChI=1S/C26H26FN7/c1-17-16-29-25-23(17)24(19-5-3-4-18(14-19)8-9-28)31-26(32-25)30-20-6-7-22(21(27)15-20)34-12-10-33(2)11-13-34/h3-7,14-16H,8,10-13H2,1-2H3,(H2,29,30,31,32)
InChIKey
BCFKACXAIBEPKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-(2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)acetonitrile
CAS: 1239875-86-5
CID: 46870258
Formula: C26H26FN7
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass455.22337202
Monoisotopic Mass455.22337202
Topological Polar Surface Area83.9 Ų
Heavy Atom Count34
Formal Charge0
Complexity719
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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CatalogName
HY-12964-01SGI-7079
A15864-500SGI-7079 500mg
A15864-25SGI-7079 25mg
A15864-5SGI-7079 5mg
A15864-2SGI-7079 2mg
A15864-100SGI-7079 100mg
A15864-50SGI-7079 50mg
A15864-10SGI-7079 10mg
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