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AZ3391

CAT: 0804-HY-144874-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-144874-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZ3391 is a potent inhibitor of PARP. AZ3391 is a quinoxaline derivative. PARP family of enzymes play an important role in a number of cellular processes, such as replication, recombination, chromatin remodeling, and DNA damage repair. AZ3391 has the potential for the research of diseases and conditions occurring in tissues in the central nervous system, such as the brain and spinal cord (extracted from patent WO2021260092A1, compound 23) [1].
CAS Number
2756333-42-1
UNSPSC
12352005
Target
PARP
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/az3391.html
Purity
98.03
Solubility
DMSO : 16.67 mg/mL (ultrasonic)
Smiles
O=C(C1=NC(C)=C(N2CCN(CC3=C(F)C4=C(N=C(CC)C(N4)=O)C=C3)CC2)C=C1)NC
Molecular Formula
C23H27FN6O2
Molecular Weight
438.50
References & Citations
[1]Martin John Packer, et al. Quinoxaline derivatives as anti-cancer drugs. Patent WO2021260092A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 162524448
CAS Number2756333-42-1
PubChem CID162524448
IUPAC Name5-[4-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide
Molecular FormulaC23H27FN6O2
Molecular Weight438.5
XLogP1.6
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity725
SMILES
CCC1=NC2=C(C(=C(C=C2)CN3CCN(CC3)C4=C(N=C(C=C4)C(=O)NC)C)F)NC1=O
InChI
InChI=1S/C23H27FN6O2/c1-4-16-23(32)28-21-17(27-16)6-5-15(20(21)24)13-29-9-11-30(12-10-29)19-8-7-18(22(31)25-3)26-14(19)2/h5-8H,4,9-13H2,1-3H3,(H,25,31)(H,28,32)
InChIKey
HLKLYCUPDHVKKZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 162524448
CAS: 2756333-42-1
CID: 162524448
Formula: C23H27FN6O2
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass438.21795229
Monoisotopic Mass438.21795229
Topological Polar Surface Area89.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity725
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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