WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406730
Description: WDR5-0103 is a small molecule that binds a peptide-binding pocket on WDR5 (Kd = 450 nM), inhibiting the catalytic activity of the MLL core complex in vitro (IC50 = 39 µM). WD repeat domain 5 (WDR5) plays an important role in various biological functions through the epigenetic regulation of gene transcription. WDR5 may have oncogenic effect and WDR5-mediated H3K4 methylation plays an important role in leukemogenesis.
MedKoo Cat#: 406730
Chemical Formula: C21H25N3O4
Exact Mass: 383.1845
Molecular Weight: 383.448
Elemental Analysis: C, 65.78; H, 6.57; N, 10.96; O, 16.69
Synonym: WDR5-0103; WDR 5-0103; WDR-5-0103; WDR50103; WDR-50103; WDR 50103; WD-Repeat Protein 5-0103.
IUPAC/Chemical Name: methyl 3-(3-methoxybenzamido)-4-(4-methylpiperazin-1-yl)benzoate
InChi Key: ZPLBXOVTSNRBFB-UHFFFAOYSA-N
InChi Code: InChI=1S/C21H25N3O4/c1-23-9-11-24(12-10-23)19-8-7-16(21(26)28-3)14-18(19)22-20(25)15-5-4-6-17(13-15)27-2/h4-8,13-14H,9-12H2,1-3H3,(H,22,25)
SMILES Code: O=C(OC)C1=CC(NC(C2=CC=CC(OC)=C2)=O)=C(N3CCN(C)CC3)C=C1
Appearance: White to beige 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: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
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 383.448 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: Li DD, Wang ZH, Chen WL, Xie YY, You QD, Guo XK. Structure-based design of ester compounds to inhibit MLL complex catalytic activity by targeting mixed lineage leukemia 1 (MLL1)-WDR5 interaction. Bioorg Med Chem. 2016 Nov 15;24(22):6109-6118. doi: 10.1016/j.bmc.2016.09.073. Epub 2016 Oct 1. PubMed PMID: 27720555.