Products for Research Use Only
RegisterLogin

PARP1-IN-14

CAT: 0804-HY-155766Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-155766Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
PARP1-IN-14 (compound 19k) is a potent PARP1 inhibitor, with an IC50 of 0.6 ± 0.1 nM. PARP1-IN-14 exhibits antiproliferative effect against both MDA-MB-436 (BRCA1−/−) and Capan-1 (BRCA2−/−) cells with IC50 values below 0.3 nM[1].
CAS Number
2098639-70-2
UNSPSC
12352005
Target
Apoptosis; PARP
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/parp1-in-14.html
Solubility
10 mM in DMSO
Smiles
O=C1NN=C(CC2=CC=C(F)C(C(N3CC4=NN=C(C5=NC(OC)=CC=C5)N4C(C)C3)=O)=C2)C6=C1C=CC=C6
Molecular Formula
C28H24FN7O3
Molecular Weight
525.53
References & Citations
[1]Wang P, et al. Identification of [1,2,4]Triazolo[4,3-a]pyrazine PARP1 inhibitors with overcome acquired resistance activities. Eur J Med Chem. 2023 Nov 5;259:115709.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PARP1

Chemical Information

Parp1-IN-14
CAS Number2098639-70-2
PubChem CID140912416
IUPAC Name4-[[4-fluoro-3-[3-(6-methoxy-2-pyridinyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
Molecular FormulaC28H24FN7O3
Molecular Weight525.5
XLogP2.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity952
SMILES
CC1CN(CC2=NN=C(N12)C3=NC(=CC=C3)OC)C(=O)C4=C(C=CC(=C4)CC5=NNC(=O)C6=CC=CC=C65)F
InChI
InChI=1S/C28H24FN7O3/c1-16-14-35(15-24-32-33-26(36(16)24)22-8-5-9-25(30-22)39-2)28(38)20-12-17(10-11-21(20)29)13-23-18-6-3-4-7-19(18)27(37)34-31-23/h3-12,16H,13-15H2,1-2H3,(H,34,37)
InChIKey
KFMRDHKVQWDRIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Parp1-IN-14
CAS: 2098639-70-2
CID: 140912416
Formula: C28H24FN7O3
MW: 525.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass525.19246582
Monoisotopic Mass525.19246582
Topological Polar Surface Area115 Ų
Heavy Atom Count39
Formal Charge0
Complexity952
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
HY-178032PARP1-IN-44
HY-173446PARP1-IN-38
HY-169575PARP1-IN-36
HY-160417PARP1-IN-19
HY-159612PARP1-IN-28
HY-142657-01PARP1-IN-7
HY-178468PARP1-IN-47
HY-178100PARP1-IN-45
HY-175482PARP1-IN-43
HY-175471PARP1-IN-42

Alternative Products

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

Popular Products