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PC-046

CAT: 0931-T71252-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71252-02Size:50 mg
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CAS Number
1202401-59-9
Target
Others, IRAK, Apoptosis, Pim, Trk receptor
Related Pathways
Tyrosine Kinase/Adaptors, Apoptosis, JAK/STAT signaling, NF-κB, Immunology/Inflammation, Others, Chromatin/Epigenetic
Bioactivity
PC-046 is a potent tubulin-binding agent, which was originally identified for development based on selective activity in deleted in pancreas cancer locus 4 (DPC4/SMAD4) deficient tumors. PC-046 has growth inhibitory activity in a variety of tumor types in vitro, and efficacy in SCID mice was shown in human tumor xenografts of MV-4-11 acute myeloid leukemia, MM.1S multiple myeloma, and DU-145 prostate cancer. Pharmacokinetic studies demonstrated relatively high oral bioavailability (71 %) with distribution to both plasma and bone marrow. No myelosuppression was seen in non-tumor bearing SCID mice given a single dose just under the acute lethal dose. The COMPARE algorithm in the NCI-60 cell line panel demonstrated that PC-046 closely correlated to other known tubulin destabilizing agents (correlation coefficients ≈0.7 for vincristine and vinblastine) . Mechanism of action studies showed cell cycle arrest in metaphase and inhibition of tubulin polymerization. Overall, these studi......
Smiles
O(C)C=1C=C(C=2C(=CC=NC2)C=3OC(=CN3)C4=CC=C(OC)C=C4)C=CC1
Molecular Formula
C22H18N2O3
Molecular Weight
358.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(4-Methoxyphenyl)-2-(3-(3-methoxyphenyl)pyridin-4-yl)oxazole

structure in first source

CAS Number1202401-59-9
PubChem CID25235411
IUPAC Name5-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-pyridinyl]-1,3-oxazole
Molecular FormulaC22H18N2O3
Molecular Weight358.4
XLogP4.2
Topological Polar Surface Area57.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity455
SMILES
COC1=CC=C(C=C1)C2=CN=C(O2)C3=C(C=NC=C3)C4=CC(=CC=C4)OC
InChI
InChI=1S/C22H18N2O3/c1-25-17-8-6-15(7-9-17)21-14-24-22(27-21)19-10-11-23-13-20(19)16-4-3-5-18(12-16)26-2/h3-14H,1-2H3
InChIKey
CTNUOHRUVZXVHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Methoxyphenyl)-2-(3-(3-methoxyphenyl)pyridin-4-yl)oxazole
CAS: 1202401-59-9
CID: 25235411
Formula: C22H18N2O3
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass358.13174244
Monoisotopic Mass358.13174244
Topological Polar Surface Area57.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity455
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