MS436
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MedKoo CAT#: 406976

CAS#: 1395084-25-9

Description: MS436 is a BRD4 inhibitor. MS436, through a set of water-mediated interactions, exhibits low nanomolar affinity (estimated Ki of 30-50 nM). MS436 effectively inhibits BRD4 activity in NF-κB-directed production of nitric oxide and proinflammatory cytokine interleukin-6 in murine macrophages. MS436 represents a new class of bromodomain inhibitors and will facilitate further investigation of the biological functions of the two bromodomains of BRD4 in gene expression.

Chemical Structure

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MS436
CAS# 1395084-25-9
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 406976
Name: MS436
CAS#: 1395084-25-9
Chemical Formula: C18H17N5O3S
Exact Mass: 383.11
Molecular Weight: 383.426
Elemental Analysis: C, 56.39; H, 4.47; N, 18.27; O, 12.52; S, 8.36

Price and Availability

Size Price Availability Quantity
5g USD -1
10mg USD 150
25mg USD 250
50mg USD 450
100mg USD 650
200mg USD 1050
500mg USD 1950
1g USD 2850
2g USD 3950
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Synonym: MS436; MS-436; MS 436.

IUPAC/Chemical Name: (E)-4-[2-(2-Amino-4-hydroxy-5-methylphenyl)diazenyl]-N-2-pyridinylbenzenesulfonamide

InChi Key: DZTGIRNXWSZBIM-QURGRASLSA-N

InChi Code: InChI=1S/C18H17N5O3S/c1-12-10-16(15(19)11-17(12)24)22-21-13-5-7-14(8-6-13)27(25,26)23-18-4-2-3-9-20-18/h2-11,24H,19H2,1H3,(H,20,23)/b22-21+

SMILES Code: O=S(C1=CC=C(/N=N/C2=CC(C)=C(O)C=C2N)C=C1)(NC3=NC=CC=C3)=O

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
Instruction:
View handling instruction
Biological target: MS436 is a new class of bromodomain inhibitor, exhibits potent affinity of an estimated Ki=30-50 nM for the BRD4 BrD1.
In vitro activity: Among the obtained hits, a bromodomain-containing protein 4 (BRD4) inhibitor MS436 exhibited marked inhibition of cccDNA transcription in both HBV stable cell line HepAD38 and HepG2-NTCP or primary human hepatocyte infection system under noncytotoxic concentrations. Chromatin immunoprecipitation (ChIP) assay demonstrated that MS436 dramatically reduced the enrichment of H3K27ac, an activating histone modification pattern, on cccDNA minichromosome. Reference: Antiviral Res. 2023 Mar;211:105552. https://pubmed.ncbi.nlm.nih.gov/36737008/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 39.6 103.29

Preparing Stock Solutions

The following data is based on the product molecular weight 383.43 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. Yu X, Long Q, Shen S, Liu Z, Chandran J, Zhang J, Ding H, Zhang H, Cai D, Kim ES, Huang Y, Guo H. Screening of an epigenetic compound library identifies BRD4 as a potential antiviral target for hepatitis B virus covalently closed circular DNA transcription. Antiviral Res. 2023 Mar;211:105552. doi: 10.1016/j.antiviral.2023.105552. Epub 2023 Feb 1. PMID: 36737008. 2. Zhang G, Plotnikov AN, Rusinova E, Shen T, Morohashi K, Joshua J, Zeng L, Mujtaba S, Ohlmeyer M, Zhou MM. Structure-guided design of potent diazobenzene inhibitors for the BET bromodomains. J Med Chem. 2013 Nov 27;56(22):9251-64. doi: 10.1021/jm401334s. Epub 2013 Nov 11. PMID: 24144283; PMCID: PMC3894848.
In vitro protocol: 1. Yu X, Long Q, Shen S, Liu Z, Chandran J, Zhang J, Ding H, Zhang H, Cai D, Kim ES, Huang Y, Guo H. Screening of an epigenetic compound library identifies BRD4 as a potential antiviral target for hepatitis B virus covalently closed circular DNA transcription. Antiviral Res. 2023 Mar;211:105552. doi: 10.1016/j.antiviral.2023.105552. Epub 2023 Feb 1. PMID: 36737008. 2. Zhang G, Plotnikov AN, Rusinova E, Shen T, Morohashi K, Joshua J, Zeng L, Mujtaba S, Ohlmeyer M, Zhou MM. Structure-guided design of potent diazobenzene inhibitors for the BET bromodomains. J Med Chem. 2013 Nov 27;56(22):9251-64. doi: 10.1021/jm401334s. Epub 2013 Nov 11. PMID: 24144283; PMCID: PMC3894848.
In vivo protocol: TBD

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1: Zhang G, Plotnikov AN, Rusinova E, Shen T, Morohashi K, Joshua J, Zeng L,
Mujtaba S, Ohlmeyer M, Zhou MM. Structure-guided design of potent diazobenzene
inhibitors for the BET bromodomains. J Med Chem. 2013 Nov 27;56(22):9251-64. doi:
10.1021/jm401334s. PubMed PMID: 24144283; PubMed Central PMCID: PMC3894848.