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PARP-1-IN-2

CAT: 0804-HY-147027-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147027-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PARP-1-IN-2 (compound 11g) is a potent and BBB-penetrated PARP1 inhibitor, with an IC50 of 149 nM. PARP1-IN-2 shows significantly potent anti-proliferative activity against Human lung adenocarcinoma epithelial cell line A549. PARP1-IN-2 can induce A549 cells apoptosis[1].
CAS Number
684234-55-7
UNSPSC
12352005
Hazard Statement
H315, H319
Target
Apoptosis; Caspase; 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/parp-1-in-2.html
Purity
99.48
Solubility
DMSO : 83.33 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=CC(Cl)=C1)CN(N=C(C2=CC=C(Cl)C=C2)C3=C4C=CC=C3)C4=O
Molecular Formula
C22H15Cl2N3O2
Molecular Weight
424.28
Precautions
H315, H319
References & Citations
[1]Almahli H, et al. Development of novel synthesized phthalazinone-based PARP-1 inhibitors with apoptosis inducing mechanism in lung cancer. Bioorg Chem. 2018 Apr;77:443-456.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Caspase 3; Caspase 9; PARP1

Chemical Information

N-(3-Chlorophenyl)-2-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)acetamide
CAS Number684234-55-7
PubChem CID1987353
IUPAC NameN-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]acetamide
Molecular FormulaC22H15Cl2N3O2
Molecular Weight424.3
XLogP5
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity648
SMILES
C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15Cl2N3O2/c23-15-10-8-14(9-11-15)21-18-6-1-2-7-19(18)22(29)27(26-21)13-20(28)25-17-5-3-4-16(24)12-17/h1-12H,13H2,(H,25,28)
InChIKey
ASIIOGZHCMSESG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Chlorophenyl)-2-(4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl)acetamide
CAS: 684234-55-7
CID: 1987353
Formula: C22H15Cl2N3O2
MW: 424.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.3
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass423.0541321
Monoisotopic Mass423.0541321
Topological Polar Surface Area61.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity648
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

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A20240-5PARP-2-IN-1 5mg
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A20240-50PARP-2-IN-1 50mg
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