WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465332
CAS#: unknown
Description: ZW4864 is an Orally Bioavailable Small-Molecule Inhibitor for the β‑Catenin/B-Cell Lymphoma 9 Protein−Protein Interaction. ZW4864, that binds with β-catenin and selectively disrupts the protein−protein interaction (PPI) between B-cell lymphoma 9 (BCL9) and β-catenin while sparing the β-catenin/E-cadherin PPI. ZW4864 dose-dependently suppresses β-catenin signaling activation, downregulates oncogenic β-catenin target genes, and abrogates invasiveness of β-catenin-dependent cancer cells. More importantly, ZW4864 shows good pharmacokinetic properties and effectively suppresses β-catenin target gene expression in the patient-derived xenograft mouse model.
MedKoo Cat#: 465332
Name: ZW4864
CAS#: unknown
Chemical Formula: C33H43ClN6O3
Exact Mass: 606.3085
Molecular Weight: 607.196
Elemental Analysis: C, 65.28; H, 7.14; Cl, 5.84; N, 13.84; O, 7.90
This product is not in stock, which may be available by custom synthesis.
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Synonym: ZW4864; ZW 4864; ZW-4864;
IUPAC/Chemical Name: (R)-4-(2-(3-(3-((4-(1H-pyrazol-4-yl)benzyl)(cyclopropyl)carbamoyl)piperidin-1-yl)phenoxy)-2-methylpropanoyl)piperazin-1-ium chloride
InChi Key: PQRRIGABHUYXRQ-UFTMZEDQSA-N
InChi Code: InChI=1S/C33H42N6O3.ClH/c1-33(2,32(41)37-17-14-34-15-18-37)42-30-7-3-6-29(19-30)38-16-4-5-26(23-38)31(40)39(28-12-13-28)22-24-8-10-25(11-9-24)27-20-35-36-21-27;/h3,6-11,19-21,26,28,34H,4-5,12-18,22-23H2,1-2H3,(H,35,36);1H/t26-;/m1./s1
SMILES Code: O=C(N(C1CC1)CC2=CC=C(C3=CNN=C3)C=C2)[C@@H]4CCCN(C5=CC(OC(C)(C)C(N6CC[NH2+]CC6)=O)=CC=C5)C4.[Cl-]
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 607.196 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Wang Z, Zhang M, Quereda V, Frydman SM, Ming Q, Luca VC, Duckett DR, Ji H. Discovery of an Orally Bioavailable Small-Molecule Inhibitor for the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction. J Med Chem. 2021 Aug 12. doi: 10.1021/acs.jmedchem.1c00742. Epub ahead of print. PMID: 34382808.
