Products for Research Use Only
RegisterLogin

PARP1/BRD4-IN-1

CAT: 0931-T63471-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T63471-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2758117-74-5
Target
Apoptosis, PARP, Epigenetic Reader Domain, Others, DNA/RNA Synthesis
Related Pathways
Apoptosis, Others, Chromatin/Epigenetic, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
PARP1/BRD4-IN-1 is a highly selective and potent inhibitor of PARP1 (IC50: 49 nM) and BRD4 (IC50: 202 nM), which inhibits the expression and activity of PARP1 and BRD4, thereby synergistically suppressing the malignant growth of pancreatic cancer cells.
Smiles
C(N1C(C=2C(N(C)C1=O)=CC=C(C2)C=3C(C)=NOC3C)C4=CC=CC=C4)C=5NC=6C(N5)=CC=CC6C(N)=O
Molecular Formula
C29H26N6O3
Molecular Weight
506.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Parp1/brd4-IN-1
CAS Number2758117-74-5
PubChem CID162717039
IUPAC Name2-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-2-oxo-4-phenyl-4H-quinazolin-3-yl]methyl]-1H-benzimidazole-4-carboxamide
Molecular FormulaC29H26N6O3
Molecular Weight506.6
XLogP3.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity882
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=O)N(C3C4=CC=CC=C4)CC5=NC6=C(C=CC=C6N5)C(=O)N)C
InChI
InChI=1S/C29H26N6O3/c1-16-25(17(2)38-33-16)19-12-13-23-21(14-19)27(18-8-5-4-6-9-18)35(29(37)34(23)3)15-24-31-22-11-7-10-20(28(30)36)26(22)32-24/h4-14,27H,15H2,1-3H3,(H2,30,36)(H,31,32)
InChIKey
JHEWPSFLMCUPRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Parp1/brd4-IN-1
CAS: 2758117-74-5
CID: 162717039
Formula: C29H26N6O3
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass506.20663871
Monoisotopic Mass506.20663871
Topological Polar Surface Area121 Ų
Heavy Atom Count38
Formal Charge0
Complexity882
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

Related Products

CatalogName
T200653-01PARP1/BRD4-IN-3
T62540-01PARP1/BRD4-IN-2
T18598-01PROTAC BRD2/BRD4 degrader-1
T210348-01BRD4/NAMPT-IN-1
T205214-01HDAC3/BRD4-IN-1
T210073-01BRD4 degrader-1
T64058-01PLK1/BRD4-IN-1
T64089-01BRD4 D1-IN-1
T62030-01BRD4-BD1-IN-1
T63991-01BRD4/CK2-IN-1

Alternative Products

CatalogName
GTR19185181-01PARP1/BRD4-IN-1
HY-169170PARP1/BRD4-IN-3
HY-150613PARP1/BRD4-IN-2
HY-161515-01BRD4/NAMPT-IN-1
HY-143299BRD4-BD1-IN-1
MBS5806655BRD4/CK2-IN-1
HY-142704BRD4 D1-IN-1
HY-186002BRD4/BCL6-IN-1
HY-170841HDAC3/BRD4-IN-1
HY-163638-01BRD4 degrader-1

Popular Products