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ERCC1-XPF-IN-2

CAT: 0931-T60904-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T60904-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1808986-37-9
Target
Others, DNA/RNA Synthesis
Related Pathways
Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Others
Purity
0.9834
Bioactivity
ERCC1-XPF-IN-2 is active in nucleotide excision repair, cisplatin enhancement and γH2AX assays. ERCC1-XPF-IN-2 is a potent inhibitor of ERCC1-XPF endonuclease with an IC 50 value of 0.6 μM [1].
Smiles
Oc1ccc(CNC(=O)Cc2ccc(Cl)cc2Cl)cc1O
Molecular Formula
C15H13Cl2NO3
Molecular Weight
326.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ercc1-xpf-IN-2
CAS Number1808986-37-9
PubChem CID122189958
IUPAC Name2-(2,4-dichlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]acetamide
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.2
XLogP3.2
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity356
SMILES
C1=CC(=C(C=C1CNC(=O)CC2=C(C=C(C=C2)Cl)Cl)O)O
InChI
InChI=1S/C15H13Cl2NO3/c16-11-3-2-10(12(17)7-11)6-15(21)18-8-9-1-4-13(19)14(20)5-9/h1-5,7,19-20H,6,8H2,(H,18,21)
InChIKey
BKPCQXGBKRAJDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ercc1-xpf-IN-2
CAS: 1808986-37-9
CID: 122189958
Formula: C15H13Cl2NO3
MW: 326.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight326.2
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass325.0272487
Monoisotopic Mass325.0272487
Topological Polar Surface Area69.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity356
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