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ISM7594

CAT: 0931-T211668-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211668-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3025799-76-9
Target
FGFR
Related Pathways
Tyrosine Kinase/Adaptors, Angiogenesis
Bioactivity
ISM7594 is an orally active FGFR2/3 inhibitor demonstrating broad-spectrum antiproliferative capabilities in cancer cell lines with FGFR2 or FGFR3 alterations, such as amplification, fusion, and mutation (e.g., BaF3-TEL-FGFR2-V564F with an IC50 of 0.067 nM, BaF3-TEL-FGFR2-V564I with an IC50 of 2 nM) . It inhibits tumor growth in a dose-dependent manner and is suitable for research on advanced solid tumors with FGFR2/3 abnormalities.
Smiles
O=C(N)C1=C2C=C(C=NN2C(C=3C=CC(=CC3)NC(=O)C(F)=C)=C1C4=CC=C(OC5=NC=CC(=N5)C)C(F)=C4)C
Molecular Formula
C29H22F2N6O3
Molecular Weight
540.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

US20250382297, Example 87
CAS Number3025799-76-9
PubChem CID175985469
IUPAC Name6-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-[4-(2-fluoroprop-2-enoylamino)phenyl]-3-methylpyrrolo[1,2-b]pyridazine-5-carboxamide
Molecular FormulaC29H22F2N6O3
Molecular Weight540.5
XLogP4.3
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity933
SMILES
CC1=NC(=NC=C1)OC2=C(C=C(C=C2)C3=C(N4C(=C3C(=O)N)C=C(C=N4)C)C5=CC=C(C=C5)NC(=O)C(=C)F)F
InChI
InChI=1S/C29H22F2N6O3/c1-15-12-22-25(27(32)38)24(19-6-9-23(21(31)13-19)40-29-33-11-10-16(2)35-29)26(37(22)34-14-15)18-4-7-20(8-5-18)36-28(39)17(3)30/h4-14H,3H2,1-2H3,(H2,32,38)(H,36,39)
InChIKey
VIZRMHXRFKBYOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US20250382297, Example 87
CAS: 3025799-76-9
CID: 175985469
Formula: C29H22F2N6O3
MW: 540.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass540.17214491
Monoisotopic Mass540.17214491
Topological Polar Surface Area125 Ų
Heavy Atom Count40
Formal Charge0
Complexity933
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

Alternative Products

CatalogName
GTR19264017-01ISM7594

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