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PHI-501

CAT: 0804-HY-153858Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-153858Size:1 Each
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Description
PHI-501 is a dual inhibitor targeting RAF/DDR. PHI-501 exhibits significant anti-proliferative effects in melanoma cell lines and significantly inhibits the colony formation of drug-resistant cells. PHI-501 strongly inhibits ERK and AKT phosphorylation. PHI-501 downregulates the gene sets in drug-resistant cells of TNFA-NFKB, IL6-JAK-STAT3, and KRAS signaling pathways as well as the epithelial-mesenchymal transition (EMT) signaling pathways. PHI-501 demonstrates significant anti-tumor effects in the SK-MEL3DR xenograft model. PHI-501 can be used for research on the problem of drug resistance in melanoma[1].
CAS Number
2470433-36-2
UNSPSC
12352005
Target
Discoidin Domain Receptor; Interleukin Related; JAK; MEK; Raf; Ras; STAT; TNF Receptor
Related Pathways
Apoptosis; Epigenetics; GPCR/G Protein; Immunology/Inflammation; JAK/STAT Signaling; MAPK/ERK Pathway; Protein Tyrosine Kinase/RTK; Stem Cell/Wnt
Field of Research
Cancer
Smiles
O=C(C1=CC=CC(C(F)(F)F)=C1)NC2=CC=C(C)C(C3=CC4=C(C(N3C)=O)N=C(NC5=CN=C(C)C=C5)N=C4)=C2
Molecular Formula
C29H23F3N6O2
Molecular Weight
544.53
References & Citations
[1]Kim SM, et al. PHI-501 is a novel potent next-generation pan-RAF/DDRs inhibitor, and overcomes resistance to RAF or MEK inhibitor in melanoma via dual inhibition of RAF and DDR1/2 signaling. Cancer Research. 2024 Mar 22;84 (6_Supplement) :4657-.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
IL-6; K-Ras; Raf; STAT3

Chemical Information

73ET74Lvy6
CAS Number2470433-36-2
PubChem CID159507876
IUPAC NameN-[4-methyl-3-[7-methyl-2-[(6-methyl-3-pyridinyl)amino]-8-oxopyrido[3,4-d]pyrimidin-6-yl]phenyl]-3-(trifluoromethyl)benzamide
Molecular FormulaC29H23F3N6O2
Molecular Weight544.5
XLogP5.1
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity961
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC4=CN=C(N=C4C(=O)N3C)NC5=CN=C(C=C5)C
InChI
InChI=1S/C29H23F3N6O2/c1-16-7-9-21(35-26(39)18-5-4-6-20(11-18)29(30,31)32)13-23(16)24-12-19-14-34-28(37-25(19)27(40)38(24)3)36-22-10-8-17(2)33-15-22/h4-15H,1-3H3,(H,35,39)(H,34,36,37)
InChIKey
MAFNESNJTDKLPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 73ET74Lvy6
CAS: 2470433-36-2
CID: 159507876
Formula: C29H23F3N6O2
MW: 544.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass544.18345848
Monoisotopic Mass544.18345848
Topological Polar Surface Area100 Ų
Heavy Atom Count40
Formal Charge0
Complexity961
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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