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1374601-41-8

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1374601-41-8 Structure

1374601-41-8 Structure
IdentificationBack Directory
[Name]

BRD-9539
[CAS]

1374601-41-8
[Synonyms]

BRD9539
BRD-9539
BRD 9539
2-(BenzoylaMino)-1-(3-phenylpropyl)-1H-benziMidazole-5-carboxylic acid
1H-Benzimidazole-5-carboxylic acid, 2-(benzoylamino)-1-(3-phenylpropyl)-
[Molecular Formula]

C24H21N3O3
[MDL Number]

MFCD23704793
[MOL File]

1374601-41-8.mol
[Molecular Weight]

399.44
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble15mg/mL, clear
[form ]

powder
[color ]

white to beige
[InChI]

1S/C24H21N3O3/c28-22(18-11-5-2-6-12-18)26-24-25-20-16-19(23(29)30)13-14-21(20)27(24)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)(H,25,26,28)
[InChIKey]

WPXMEOBILYVKBC-UHFFFAOYSA-N
[SMILES]

C1(NC(=O)C2=CC=CC=C2)N(CCCC2=CC=CC=C2)C2=CC=C(C(O)=O)C=C2N=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic Acid is a small molecule that has been reported as a novel histone methyltransferase inhibitor.
[Biochem/physiol Actions]

BRD9539 is a very specific inhibitor of the enzymatic activity of histone methyltransferase G9a. The compound has poor activity in cell based assays.
[IC 50]

G9a: 6.3 μM (IC50); PRC2
Spectrum DetailBack Directory
[Spectrum Detail]

BRD-9539(1374601-41-8)1HNMR
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