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PBRM1-BD2-IN-8

CAT: 0804-HY-151538-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-151538-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PBRM1-BD2-IN-8 (compound 34) is a potent PBRM1 Bromodomain inhibitor (PBRM1-BD2 Kd=4.4 μM, PBRM1-BD2 IC50=0.16 μM; PBRM1-BD5 Kd=25 μM) . PBRM1-BD2-IN-8 shows anti-cancer activity[1].
CAS Number
2819989-75-6
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/pbrm1-bd2-in-8.html
Concentration
10mM
Purity
99.48
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1NC(C2=CC=CC(C)=C2)NC3=C1C(Br)=CC=C3
Molecular Formula
C15H13BrN2O
Molecular Weight
317.18
References & Citations
[1]Shishodia S, et al. Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening. J Med Chem. 2022 Oct 13.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Pbrm1-BD2-IN-8
CAS Number2819989-75-6
PubChem CID164880766
IUPAC Name5-bromo-2-(3-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
Molecular FormulaC15H13BrN2O
Molecular Weight317.18
XLogP3.6
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity349
SMILES
CC1=CC(=CC=C1)C2NC3=C(C(=CC=C3)Br)C(=O)N2
InChI
InChI=1S/C15H13BrN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)
InChIKey
PXWIXTCIXZCREB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pbrm1-BD2-IN-8
CAS: 2819989-75-6
CID: 164880766
Formula: C15H13BrN2O
MW: 317.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.18
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass316.02113
Monoisotopic Mass316.02113
Topological Polar Surface Area41.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity349
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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