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BRD9539

CAT: 0804-HY-15647-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-15647-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD9539 is a histone methyltransferase G9a inhibitor with an IC50 of 6.3 μM. BRD9539 also inhibits PRC2 activity and is inactive against SUV39H1, NSD2 and DNMT1[1].
CAS Number
1374601-41-8
UNSPSC
12352005
Hazard Statement
H302
Target
Histone Methyltransferase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/BRD9539.html
Purity
99.73
Solubility
DMSO : 16.67 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C2C(N=C(NC(C3=CC=CC=C3)=O)N2CCCC4=CC=CC=C4)=C1)O
Molecular Formula
C24H21N3O3
Molecular Weight
399.44
Precautions
H302
References & Citations
[1]Yuan Y et al. A small-molecule probe of the histone methyltransferase G9a induces cellular senescence in pancreatic adenocarcinoma. ACS Chem Biol. 2012 Jul 20;7 (7) :1152-7.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
EHMT2/G9a/KMT1C

Chemical Information

2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CAS Number1374601-41-8
PubChem CID73755260
IUPAC Name2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylic acid
Molecular FormulaC24H21N3O3
Molecular Weight399.4
XLogP4.4
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity586
SMILES
C1=CC=C(C=C1)CCCN2C3=C(C=C(C=C3)C(=O)O)N=C2NC(=O)C4=CC=CC=C4
InChI
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
Chemical Structure
2D Structure
2D structure of 2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CAS: 1374601-41-8
CID: 73755260
Formula: C24H21N3O3
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass399.15829154
Monoisotopic Mass399.15829154
Topological Polar Surface Area84.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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