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CRT0044876

CAT: 0804-HY-W014622-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W014622-01Size:10 mg
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Description
CRT0044876 is a potent and selective apurinic/apyrimidinic endonuclease 1 (APE1) inhibitor (IC50=~3 μM) . CRT0044876 inhibits the AP endonuclease, 3′-phosphodiesterase and 3′-phosphatase activities of APE1, and is a specific inhibitor of the exonuclease III family of enzymes to which APE1 belongs. CRT0044876 potentiates the cytotoxicity of several DNA base-targeting compounds[1].
CAS Number
6960-45-8
UNSPSC
12352005
Hazard Statement
H319, H334
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/crt0044876.html
Purity
98.88
Solubility
DMSO : 50 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic)
Smiles
O=C(C(N1)=CC2=C1C([N+]([O-])=O)=CC=C2)O
Molecular Formula
C9H6N2O4
Molecular Weight
206.16
Precautions
H319, H334
References & Citations
[1]Madhusudan S, et al. Isolation of a small molecule inhibitor of DNA base excision repair. Nucleic Acids Res. 2005;33 (15) :4711-4724. Published 2005 Aug 19.
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

7-nitro-1H-indole-2-carboxylic acid

acts on AP endonuclease, 3'-phosphodiesterase, and 3'-phosphatase activities of APE1; structure in first source

CAS Number6960-45-8
PubChem CID81409
IUPAC Name7-nitro-1H-indole-2-carboxylic acid
Molecular FormulaC9H6N2O4
Molecular Weight206.15
XLogP1.7
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity288
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])NC(=C2)C(=O)O
InChI
InChI=1S/C9H6N2O4/c12-9(13)6-4-5-2-1-3-7(11(14)15)8(5)10-6/h1-4,10H,(H,12,13)
InChIKey
BIUCOFQROHIAEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-nitro-1H-indole-2-carboxylic acid
CAS: 6960-45-8
CID: 81409
Formula: C9H6N2O4
MW: 206.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.15
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass206.03275668
Monoisotopic Mass206.03275668
Topological Polar Surface Area98.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity288
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

Alternative Products

CatalogName
GTR19158609-01CRT0044876
A14304-500CRT0044876 500mg
A14304-100CRT0044876 100mg
A14304-50CRT0044876 50mg
A14304-25CRT0044876 25mg
A14304-10CRT0044876 10mg
A14304-10mM-DCRT0044876 10mM * 1mL in DMSO

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