MedKoo Cat#: 465661 | Name: ZL3138

Description:

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

ZL3138 is a novel β-catenin/B-cell lymphoma 9 (BCL9) inhibitor, disrupting the β-catenin/BCL9 protein-protein interaction (PPI) with a Ki of 0.96 μM and without affecting the β-catenin/E-cadherin interaction in living cells, displaying good selectivity for β-catenin/BCL9 over β-catenin/E-cadherin PPIs.

Chemical Structure

ZL3138
ZL3138
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465661

Name: ZL3138

CAS#: unknown

Chemical Formula: C37H53Cl2N5O3

Exact Mass: 685.3525

Molecular Weight: 686.76

Elemental Analysis: C, 64.71; H, 7.78; Cl, 10.32; N, 10.20; O, 6.99

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
ZL3138; ZL 3138; ZL-3138;
IUPAC/Chemical Name
(S)-2-((1-(3-(4-(tert-butyl)cyclohexyl)-4-(pyrrolidin-3-yloxy)benzoyl)piperidin-4-yl)oxy)-4-(piperazin-1-yl)benzonitrile dihydrochloride
InChi Key
BJLUZOOHVQRTRQ-BZWZXOHXSA-N
InChi Code
InChI=1S/C37H51N5O3.2ClH/c1-37(2,3)29-8-4-26(5-9-29)33-22-27(7-11-34(33)45-32-12-15-40-25-32)36(43)42-18-13-31(14-19-42)44-35-23-30(10-6-28(35)24-38)41-20-16-39-17-21-41;;/h6-7,10-11,22-23,26,29,31-32,39-40H,4-5,8-9,12-21,25H2,1-3H3;2*1H/t26?,29?,32-;;/m0../s1
SMILES Code
N#CC1=CC=C(N2CCNCC2)C=C1OC3CCN(C(C4=CC=C(O[C@@H]5CNCC5)C(C6CCC(C(C)(C)C)CC6)=C4)=O)CC3.[H]Cl.[H]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 686.76 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: Li Z, Zhang M, Teuscher KB, Ji H. Discovery of 1-Benzoyl 4-Phenoxypiperidines as Small-Molecule Inhibitors of the β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction. J Med Chem. 2021 Aug 12;64(15):11195-11218. doi: 10.1021/acs.jmedchem.1c00596. Epub 2021 Jul 16. PMID: 34270257.