MELK-8a HCl
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MedKoo CAT#: 555650

CAS#: 2096992-20-8 (HCl)

Description: MELK-8a is a maternal embryonic leucine zipper kinase (MELK) inhibitor.


Chemical Structure

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MELK-8a HCl
CAS# 2096992-20-8 (HCl)

Theoretical Analysis

MedKoo Cat#: 555650
Name: MELK-8a HCl
CAS#: 2096992-20-8 (HCl)
Chemical Formula: C25H33ClN6O
Exact Mass: 0.00
Molecular Weight: 469.030
Elemental Analysis: C, 64.02; H, 7.09; Cl, 7.56; N, 17.92; O, 3.41

Price and Availability

Size Price Availability Quantity
100mg USD 1650 2 Weeks
200mg USD 2850 2 Weeks
500mg USD 4650 2 Weeks
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Related CAS #: 2096992-20-8 (HCl)   1922153-17-0 (free base)    

Synonym: MELK-8a HCl; MELK-8a HCl; MELK-8a HCl; MELK-8a hydrochloride

IUPAC/Chemical Name: 1-methyl-4-(4-(4-(3-(piperidin-4-ylmethoxy)pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)piperazine hydrochloride

InChi Key: AFGMSRRNYDSRPT-UHFFFAOYSA-N

InChi Code: InChI=1S/C25H32N6O.ClH/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20;/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3;1H

SMILES Code: CN1CCN(C2=CC=C(N3N=CC(C4=C(OCC5CCNCC5)C=NC=C4)=C3)C=C2)CC1.[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: Soluble in DMSO

Shelf Life: >3 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

More Info:

Product Data:
Biological target: MELK-8a hydrochloride is a novel maternal embryonic leucine zipper kinase (MELK) inhibitor with an IC50 of 2 nM.
In vitro activity: This study describes the discovery and optimization of novel MELK inhibitors 8a and 8b that recapitulate the cellular effects observed by short hairpin ribonucleic acid (shRNA)-mediated MELK knockdown in cellular models. Reference: J Med Chem. 2016 May 26;59(10):4711-23. https://pubmed.ncbi.nlm.nih.gov/27187609/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 8.6 18.34
PBS (pH 7.2) 1.0 2.13
Water 100.0 213.21

Preparing Stock Solutions

The following data is based on the product molecular weight 469.03 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
Formulation protocol: 1. Sun H, Ma H, Zhang H, Ji M. Up-regulation of MELK by E2F1 promotes the proliferation in cervical cancer cells. Int J Biol Sci. 2021 Sep 7;17(14):3875-3888. doi: 10.7150/ijbs.62517. PMID: 34671205; PMCID: PMC8495384. 2. Touré BB, Giraldes J, Smith T, Sprague ER, Wang Y, Mathieu S, Chen Z, Mishina Y, Feng Y, Yan-Neale Y, Shakya S, Chen D, Meyer M, Puleo D, Brazell JT, Straub C, Sage D, Wright K, Yuan Y, Chen X, Duca J, Kim S, Tian L, Martin E, Hurov K, Shao W. Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J Med Chem. 2016 May 26;59(10):4711-23. doi: 10.1021/acs.jmedchem.6b00052. Epub 2016 May 17. PMID: 27187609.
In vitro protocol: 1. Sun H, Ma H, Zhang H, Ji M. Up-regulation of MELK by E2F1 promotes the proliferation in cervical cancer cells. Int J Biol Sci. 2021 Sep 7;17(14):3875-3888. doi: 10.7150/ijbs.62517. PMID: 34671205; PMCID: PMC8495384. 2. Touré BB, Giraldes J, Smith T, Sprague ER, Wang Y, Mathieu S, Chen Z, Mishina Y, Feng Y, Yan-Neale Y, Shakya S, Chen D, Meyer M, Puleo D, Brazell JT, Straub C, Sage D, Wright K, Yuan Y, Chen X, Duca J, Kim S, Tian L, Martin E, Hurov K, Shao W. Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J Med Chem. 2016 May 26;59(10):4711-23. doi: 10.1021/acs.jmedchem.6b00052. Epub 2016 May 17. PMID: 27187609.
In vivo protocol: TBD

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