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ERCC1-XPF-IN-1

CAT: 0013-GTR19185187-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185187-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ERCC1-XPF-IN-1 is a high-affinity, potent inhibitor of the ERCC1-XPF endonuclease complex with an IC50 of 0.49 μM. It disrupts nucleotide excision repair, sensitizing cells to DNA-damaging agents like UV radiation and cyclophosphamide in colorectal cancer models, both in vitro and in vivo.
CAS Number
2411584-25-1
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology
Smiles
N (C=1C2=C (N=C3C1C=C (O) C=C3) C=C (Cl) C=C2) C4=CC (CN5CCN (CCN (C) C) CC5) =C (O) C=C4
Molecular Formula
C28H32ClN5O2
Molecular Weight
506.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ercc1-xpf-IN-1
CAS Number2411584-25-1
PubChem CID162657472
IUPAC Name6-chloro-9-[3-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-4-hydroxyanilino]acridin-2-ol
Molecular FormulaC28H32ClN5O2
Molecular Weight506.0
XLogP4.7
Topological Polar Surface Area75.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity693
SMILES
CN(C)CCN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)O)O
InChI
InChI=1S/C28H32ClN5O2/c1-32(2)9-10-33-11-13-34(14-12-33)18-19-15-21(4-8-27(19)36)30-28-23-6-3-20(29)16-26(23)31-25-7-5-22(35)17-24(25)28/h3-8,15-17,35-36H,9-14,18H2,1-2H3,(H,30,31)
InChIKey
BQWNIOWWZCEWFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ercc1-xpf-IN-1
CAS: 2411584-25-1
CID: 162657472
Formula: C28H32ClN5O2
MW: 506.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.0
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass505.2244530
Monoisotopic Mass505.2244530
Topological Polar Surface Area75.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity693
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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