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NP-G2-044

CAT: 0931-T9107-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T9107-05Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807454-59-6
Target
Others, Wnt/beta-catenin
Related Pathways
Cytoskeletal Signaling, Others, Stem Cells
Purity
0.9987
Bioactivity
NP-G2-044 is an orally active fascin inhibitor, with an IC50 of ~2 μM. It blocks tumor metastasis and increases antitumor immune response.
Smiles
Cc1occc1C(=O)Nc1nn(Cc2ccc(cc2)C(F)(F)F)c2ccccc12
Molecular Formula
C21H16F3N3O2
Molecular Weight
399.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide

NP-G2-044 is under investigation in clinical trial NCT03199586 (Phase 1 Clinical Trial of Metastasis Inhibitor NP-G2-044 in Patients With Advanced or Metastatic Solid Tumors (Including Lymphoma)).

CAS Number1807454-59-6
PubChem CID91844684
IUPAC Name2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
Molecular FormulaC21H16F3N3O2
Molecular Weight399.4
XLogP4.7
Topological Polar Surface Area60.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity580
SMILES
CC1=C(C=CO1)C(=O)NC2=NN(C3=CC=CC=C32)CC4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H16F3N3O2/c1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24/h2-11H,12H2,1H3,(H,25,26,28)
InChIKey
XLLRLAABUFOJPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CAS: 1807454-59-6
CID: 91844684
Formula: C21H16F3N3O2
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass399.11946125
Monoisotopic Mass399.11946125
Topological Polar Surface Area60.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity580
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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M23818-01NP-G2-044
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