SML2442

MS417

≥98% (HPLC)

• Synonym(s): (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid methyl ester, GTPL 7512, Methyl 2-[(6S,Z)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
• Empirical Formula (Hill Notation): C₂₀H₁₉ClN₄O₂S
• CAS Number: 916489-36-6
• Molecular Weight: 414.91
• MDL number: MFCD20526583
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• color: white to very dark brown
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: O=C(OC)C[C@H]1C2=NN=C(C)N2C3=C(C(C)=C(C)S3)C(C4=CC=C(Cl)C=C4)=N1
• InChI key: GGRCIHACOIMRKY-HNNXBMFYSA-N

Description

Biochem/physiol Actions

MS417, a (+)-JQ1 analog, is a potent inhibitor of bromodomain-containing protein 4 (BRD4) that is highly specific for BRD4-BD1 and BRD4-BD2. MS417 binds with similar affinity to BRD4-BD1 and BRD4-BD2 (Kd =36.1, and 25.4 nM), while bulky tBu of JQ1 prevents tight binding to the cavity at BD1.

potent broad spectrum BET (Bromodomain and Extra-Terminal domain) bromodomain inhibitor

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable