MS436
MS436 is a potent and selective small-molecule inhibitor of BRD4 with Ki values of ＜0.085μM and 0.34μM, respectively for BrD1 and BrD2 [1].
BRD4 plays a role in gene transcription and is a drug target for cancer and inflammation. It has two bromodomains. MS436 is a diazobenzene compound, it is designed from the SAR studies to have higher selectivity. In vitro fluorescent anisotropy assay shows MS436 has about 10-fold higher affinity of BrD1 over BrD2. MS436 binds to BRD4 through a set of water-mediated interaction and this is the molecular basis for the binding affinity. MS436 also has activity to CBP BrD. In RAW264.7 cells, MS436 can block NF-κB-directed NO production and block the expression of proinflammatory cytokine interleukin (IL)-6 induced by LPS [1].
References:
[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.
| Physical Appearance | A solid |
| Storage | Store at -20°C |
| M.Wt | 383.42 |
| Cas No. | 1395084-25-9 |
| Formula | C18H17N5O3S |
| Solubility | insoluble in H2O; insoluble in EtOH; ≥19.15 mg/mL in DMSO |
| Chemical Name | 4-[(2Z)-2-(2-amino-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide |
| SDF | Download SDF |
| Canonical SMILES | CC1=CC(=NNC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=CC1=O)N |
| Shipping Condition | Small Molecules with Blue Ice, Modified Nucleotides with Dry Ice. |
| General tips | We do not recommend long-term storage for the solution, please use it up soon. |
| Description | MS436 is a potent and selective small-molecule inhibitor of BRD4 with Ki values of ＜0.085 μM and 0.34 μM for BrD1 and BrD2, respectively . | |||||
| Targets | BrD1 | BrD2 | ||||
| IC50 | ＜0.085 μM | 0.34 μM | ||||
Quality Control & MSDS
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Chemical structure
