ML-324
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MedKoo CAT#: 526895

CAS#: 1222800-79-4

Description: ML-324, also known as CID-44143209, is a potent JMJD2 demethylase inhibitor with demonstrated antiviral activity.ML-324 displays submicromolar inhibitory activity toward JMJD2E (in vitro) and possesses excellent in vitro ADME properties. ML324 displays excellent cell permeability providing an opportunity for more extensive cell-based studies of JMJD2 enzymes to be undertaken. In addition, ML324 demonstrates potent anti-viral activity against both herpes simplex virus (HSV) and human cytomegalovirus (hCMV) infection via inhibition viral IE gene expression.

Chemical Structure

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ML-324
CAS# 1222800-79-4
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 526895
Name: ML-324
CAS#: 1222800-79-4
Chemical Formula: C21H23N3O2
Exact Mass: 349.18
Molecular Weight: 349.434
Elemental Analysis: C, 72.18; H, 6.63; N, 12.03; O, 9.16

Price and Availability

Size Price Availability Quantity
50mg USD 450 2 Weeks
100mg USD 750 2 Weeks
200mg USD 1250 2 Weeks
500mg USD 2850 2 Weeks
1g USD 3650 2 Weeks
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Synonym: ML-324; ML 324; ML324; CID-44143209; CID 44143209; CID44143209.

IUPAC/Chemical Name: N-[3-(dimethylamino)propyl]-4-(8-hydroxy-6-quinolinyl)-benzamide

InChi Key: QDBVSOZTVKXUES-UHFFFAOYSA-N

InChi Code: InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26)

SMILES Code: O=C(NCCCN(C)C)C1=CC=C(C2=CC(O)=C3N=CC=CC3=C2)C=C1

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: >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

More Info:

Product Data:
Product Data
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Biological target: ML324 is a JMJD2 demethylase inhibitor with antiviral activity. ML324 also exhibits inhibition for the histone demethylase KDM4B, with an IC50 of 4.9 μM.
In vitro activity: Incubation of HCC cells with ML324 upregulated death receptor 5 (DR5) expression through the activation transcription factor 3 (ATF3)-C/EBP homologous protein (CHOP)-dependent pathway. This study showed that the loss of Bim suppressed ML324-induced apoptosis by flow cytometry analysis, colony formation assay, and caspase-3 activation assay. Interestingly, BIM protein expression by ML324 was regulated by ATF3, CHOP, and DR5 which are factors involved in UPR. Reference: Chem Biol Interact. 2022 Feb 1;353:109806. https://pubmed.ncbi.nlm.nih.gov/34999051/
In vivo activity: A significant reduction of CyHV-3 replication was observed in ~6-month-old infected koi treated with 20 µM ML324 in an immersion bath for 3-4 h at 1-, 3-, and 5-days post-infection compared to the control and ACV treatments. Under heat stress, 50-70% of 3-4-month-old koi survived CyHV-3 infection when they were treated daily with 20 µM ML324 in an immersion bath for 3-4 h within the first 5 d post-infection (dpi), compared to 11-19% and 22-27% of koi in the control and ACV treatments, respectively. Reference: Viruses. 2023 Jan 5;15(1):163. https://pubmed.ncbi.nlm.nih.gov/36680202/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 20.0 57.24
DMSO 25.6 73.33
DMSO:PBS (pH 7.2) (1:1) 0.5 1.43
Ethanol 5.0 14.31

Preparing Stock Solutions

The following data is based on the product molecular weight 349.43 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. Kim SY, Hwang S, Lee BR, Hong JA, Sung YH, Kim I. Inhibition of histone demethylase KDM4 by ML324 induces apoptosis through the unfolded protein response and Bim upregulation in hepatocellular carcinoma cells. Chem Biol Interact. 2022 Feb 1;353:109806. doi: 10.1016/j.cbi.2022.109806. Epub 2022 Jan 7. PMID: 34999051. 2. Reader J, van der Watt ME, Taylor D, Le Manach C, Mittal N, Ottilie S, Theron A, Moyo P, Erlank E, Nardini L, Venter N, Lauterbach S, Bezuidenhout B, Horatscheck A, van Heerden A, Spillman NJ, Cowell AN, Connacher J, Opperman D, Orchard LM, Llinás M, Istvan ES, Goldberg DE, Boyle GA, Calvo D, Mancama D, Coetzer TL, Winzeler EA, Duffy J, Koekemoer LL, Basarab G, Chibale K, Birkholtz LM. Multistage and transmission-blocking targeted antimalarials discovered from the open-source MMV Pandemic Response Box. Nat Commun. 2021 Jan 11;12(1):269. doi: 10.1038/s41467-020-20629-8. PMID: 33431834; PMCID: PMC7801607. 3. Matsuoka S, Petri G, Larson K, Behnke A, Wang X, Peng M, Spagnoli S, Lohr C, Milston-Clements R, Divilov K, Jin L. Evaluation of Histone Demethylase Inhibitor ML324 and Acyclovir against Cyprinid herpesvirus 3 Infection. Viruses. 2023 Jan 5;15(1):163. doi: 10.3390/v15010163. PMID: 36680202; PMCID: PMC9863241. 4. Rai G, Kawamura A, Tumber A, Liang Y, Vogel JL, Arbuckle JH, Rose NR, Dexheimer TS, Foley TL, King ON, Quinn A, Mott BT, Schofield CJ, Oppermann U, Jadhav A, Simeonov A, Kristie TM, Maloney DJ. Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity. 2012 Dec 17 [updated 2013 Sep 16]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 24260783.
In vitro protocol: 1. Kim SY, Hwang S, Lee BR, Hong JA, Sung YH, Kim I. Inhibition of histone demethylase KDM4 by ML324 induces apoptosis through the unfolded protein response and Bim upregulation in hepatocellular carcinoma cells. Chem Biol Interact. 2022 Feb 1;353:109806. doi: 10.1016/j.cbi.2022.109806. Epub 2022 Jan 7. PMID: 34999051. 2. Reader J, van der Watt ME, Taylor D, Le Manach C, Mittal N, Ottilie S, Theron A, Moyo P, Erlank E, Nardini L, Venter N, Lauterbach S, Bezuidenhout B, Horatscheck A, van Heerden A, Spillman NJ, Cowell AN, Connacher J, Opperman D, Orchard LM, Llinás M, Istvan ES, Goldberg DE, Boyle GA, Calvo D, Mancama D, Coetzer TL, Winzeler EA, Duffy J, Koekemoer LL, Basarab G, Chibale K, Birkholtz LM. Multistage and transmission-blocking targeted antimalarials discovered from the open-source MMV Pandemic Response Box. Nat Commun. 2021 Jan 11;12(1):269. doi: 10.1038/s41467-020-20629-8. PMID: 33431834; PMCID: PMC7801607.
In vivo protocol: 1. Matsuoka S, Petri G, Larson K, Behnke A, Wang X, Peng M, Spagnoli S, Lohr C, Milston-Clements R, Divilov K, Jin L. Evaluation of Histone Demethylase Inhibitor ML324 and Acyclovir against Cyprinid herpesvirus 3 Infection. Viruses. 2023 Jan 5;15(1):163. doi: 10.3390/v15010163. PMID: 36680202; PMCID: PMC9863241. 2. Rai G, Kawamura A, Tumber A, Liang Y, Vogel JL, Arbuckle JH, Rose NR, Dexheimer TS, Foley TL, King ON, Quinn A, Mott BT, Schofield CJ, Oppermann U, Jadhav A, Simeonov A, Kristie TM, Maloney DJ. Discovery of ML324, a JMJD2 demethylase inhibitor with demonstrated antiviral activity. 2012 Dec 17 [updated 2013 Sep 16]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010–. PMID: 24260783.

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1: Pathak SS, Maitra S, Chakravarty S, Kumar A. Histone Lysine Demethylases of
JMJD2 or KDM4 Family are Important Epigenetic Regulators in Reward Circuitry in
the Etiopathology of Depression. Neuropsychopharmacology. 2016 Oct 6. doi:
10.1038/npp.2016.231. PubMed PMID: 27711046.


2: Rai G, Kawamura A, Tumber A, Liang Y, Vogel JL, Arbuckle JH, Rose NR,
Dexheimer TS, Foley TL, King ON, Quinn A, Mott BT, Schofield CJ, Oppermann U,
Jadhav A, Simeonov A, Kristie TM, Maloney DJ. Discovery of ML324, a JMJD2
demethylase inhibitor with demonstrated antiviral activity. 2012 Dec 17 [updated
2013 Sep 16]. Probe Reports from the NIH Molecular Libraries Program [Internet].
Bethesda (MD): National Center for Biotechnology Information (US); 2010-.
Available from http://www.ncbi.nlm.nih.gov/books/NBK169450/
PubMed PMID: 24260783.