MedKoo Cat#: 465332 | Name: ZW4864

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

ZW4864
ZW4864
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465332

Name: ZW4864

CAS#: unknown

Chemical Formula: C33H43ClN6O3

Exact Mass: 606.3085

Molecular Weight: 607.20

Elemental Analysis: C, 65.28; H, 7.14; Cl, 5.84; N, 13.84; O, 7.90

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 607.20 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.

Recalculate based on batch purity %
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.