Products for Research Use Only
RegisterLogin

PARP1-IN-51

CAT: 0804-HY-179685Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-179685Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PARP1-IN-51 (P55 the second compound in the fifth row) is a PARP1 inhibitor. PARP1-IN-51 can be used for the research of cancer, such as breast cancer[1].
CAS Number
3017165-87-3
UNSPSC
12352005
Target
PARP
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Field of Research
Cancer
Smiles
CC1=NC2=C(C(F)=C(C=C2)CN3CCN(CC3)C4=CN5C=C(N=C5C=N4)C(F)F)NC1=O
Molecular Formula
C21H20F3N7O
Molecular Weight
443.43
References & Citations
[1]Yao Li, et al. Bicyclic derivative parp inhibitor and use thereof. WO2023227052A1. 2024-11-25
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PARP1

Chemical Information

7-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-8-fluoro-3-methyl-1H-quinoxalin-2-one
CAS Number3017165-87-3
PubChem CID176913102
IUPAC Name7-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-8-fluoro-3-methyl-1H-quinoxalin-2-one
Molecular FormulaC21H20F3N7O
Molecular Weight443.4
XLogP2
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity732
SMILES
CC1=NC2=C(C(=C(C=C2)CN3CCN(CC3)C4=CN5C=C(N=C5C=N4)C(F)F)F)NC1=O
InChI
InChI=1S/C21H20F3N7O/c1-12-21(32)28-19-14(26-12)3-2-13(18(19)22)9-29-4-6-30(7-5-29)17-11-31-10-15(20(23)24)27-16(31)8-25-17/h2-3,8,10-11,20H,4-7,9H2,1H3,(H,28,32)
InChIKey
DJVUDRIOQHUTQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-8-fluoro-3-methyl-1H-quinoxalin-2-one
CAS: 3017165-87-3
CID: 176913102
Formula: C21H20F3N7O
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass443.16814277
Monoisotopic Mass443.16814277
Topological Polar Surface Area78.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity732
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

Related Products

CatalogName
HY-178032PARP1-IN-44
HY-173446PARP1-IN-38
HY-169575PARP1-IN-36
HY-160417PARP1-IN-19
HY-159612PARP1-IN-28
HY-161517PARP1-IN-20
HY-164713-01PARP1-IN-31
HY-164475-01PARP1-IN-29
HY-132297PARP1-IN-5
HY-161934PARP1-IN-27

Alternative Products

CatalogName
GTR19274242-01PARP1-IN-51
327539-01PARP1
BA4384-1PARP1-IN-11
70R-49344PARP1 antibody
T212253-01PARP1-IN-42
T206871-01PARP1-IN-37
T204810-01PARP1-IN-35
392777PARP1 discontinued
T79593-01PARP1-IN-14

Popular Products