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
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About This Item
Empirical Formula (Hill Notation):
C20H19ClN4O2S
CAS Number:
Molecular Weight:
414.91
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
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
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
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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