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EBI-907

CAT: 0931-T70424-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70424-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1581764-31-9
Target
Raf, Others
Related Pathways
MAPK, Others
Bioactivity
EBI-907 is a highly potent and orally efficacious B-RafV600E inhibitor. EBI-907 displays a low single-digit nanomolar activity (IC50 = 4.9 nM), which is >10-fold more potent than Vemurafenib (IC50 = 59 nM) . EBI-907 also exhibits high potency in selectively inhibiting the proliferation of BRAF (V600E) -dependent cell lines (A375 and Colo205) and cellular Erk phosporylation, with superior activity to Vemurafenib. EBI-907, displaying potent activity against a number of important oncogenic kinases including BRK, FGFR1, c-Kit, and PDGFRb.
Smiles
O(C)C1=CC2=C3C(=NN=C3NC=C2C=C1C4=C(Cl)C(NS(CCCF)(=O)=O)=CC=C4F)C5CC5
Molecular Formula
C23H21ClF2N4O3S
Molecular Weight
506.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-chloro-3-(1-cyclopropyl-8-methoxy-3H-pyrazolo[3,4-c]isoquinolin-7-yl)-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
CAS Number1581764-31-9
PubChem CID73427153
IUPAC NameN-[2-chloro-3-(1-cyclopropyl-8-methoxy-2H-pyrazolo[3,4-c]isoquinolin-7-yl)-4-fluorophenyl]-3-fluoropropane-1-sulfonamide
Molecular FormulaC23H21ClF2N4O3S
Molecular Weight507.0
XLogP4.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity817
SMILES
COC1=C(C=C2C=NC3=NNC(=C3C2=C1)C4CC4)C5=C(C=CC(=C5Cl)NS(=O)(=O)CCCF)F
InChI
InChI=1S/C23H21ClF2N4O3S/c1-33-18-10-14-13(11-27-23-20(14)22(28-29-23)12-3-4-12)9-15(18)19-16(26)5-6-17(21(19)24)30-34(31,32)8-2-7-25/h5-6,9-12,30H,2-4,7-8H2,1H3,(H,27,28,29)
InChIKey
JSKJFDXTKYWPAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-chloro-3-(1-cyclopropyl-8-methoxy-3H-pyrazolo[3,4-c]isoquinolin-7-yl)-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
CAS: 1581764-31-9
CID: 73427153
Formula: C23H21ClF2N4O3S
MW: 507.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.0
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass506.0990957
Monoisotopic Mass506.0990957
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity817
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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