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PBRM1-BD2-IN-6

CAT: 0931-T72843-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T72843-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2819989-67-6
Target
Epigenetic Reader Domain, Others
Related Pathways
Chromatin/Epigenetic, Others
Bioactivity
PBRM1-BD2-IN-6, a potent inhibitor of the PBRM1 bromodomain, exhibits an IC50 value of 0.22 μM and demonstrates antiproliferative activity. It holds potential for research in PBRM1-dependent cancer treatment.
Smiles
CC1=C(C2NC=3C(C(=O)N2)=C(Cl)C=CC3)C=CC=C1C
Molecular Formula
C16H15ClN2O
Molecular Weight
286.76
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pbrm1-BD2-IN-6
CAS Number2819989-67-6
PubChem CID164880769
IUPAC Name5-chloro-2-(2,3-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
Molecular FormulaC16H15ClN2O
Molecular Weight286.75
XLogP3.9
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity375
SMILES
CC1=C(C(=CC=C1)C2NC3=C(C(=CC=C3)Cl)C(=O)N2)C
InChI
InChI=1S/C16H15ClN2O/c1-9-5-3-6-11(10(9)2)15-18-13-8-4-7-12(17)14(13)16(20)19-15/h3-8,15,18H,1-2H3,(H,19,20)
InChIKey
VQRNXAWCBAQDHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pbrm1-BD2-IN-6
CAS: 2819989-67-6
CID: 164880769
Formula: C16H15ClN2O
MW: 286.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.75
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass286.0872908
Monoisotopic Mass286.0872908
Topological Polar Surface Area41.1 Ų
Heavy Atom Count20
Formal Charge0
Complexity375
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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GTR19212946-01PBRM1-BD2-IN-6
BA4714-5PBRM1-BD2-IN-8
BA4703-50PBRM1-BD2-IN-5
BUP08962-01PBRM1-BD2-IN-3
MBS5802920PBRM1-BD2-IN-2
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