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Merck
CN

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:
916489-36-6
Molecular Weight:
414.91
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD20526583

Key Documents

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InChI key

GGRCIHACOIMRKY-HNNXBMFYSA-N

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

assay

≥98% (HPLC)

form

powder

color

white to very dark brown

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Related Categories

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000069873
0000069874
0000066109

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