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MU262

CAT: 0013-GTR19272838-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19272838-02Size:10 mg
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Description
MU262 is a structurally novel polycyclic heterocyclic small-molecule compound and a MUS81 inhibitor with an IC50 value of 0.87 μM, which directly inhibits MUS81 catalytic activity through non-interfering DNA binding, inducing genomic instability in tumor cells and specifically inhibiting the HR/BIR repair pathways. MU262 can serve as a chemical biology tool for studying MUS81 function and as a lead compound for developing anticancer therapies that exploit DNA repair defects in cancer cells.
CAS Number
1846587-13-0
Smiles
FC1=CC=C (C=C1) C2=C3N=NC (C4=NC=5C=CC=CC5N4) =C (O) N3N=C2CC
Molecular Formula
C20H15FN6O
Molecular Weight
374.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(1H-benzimidazol-2-yl)-7-ethyl-8-(4-fluorophenyl)-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
CAS Number1846587-13-0
PubChem CID136988005
IUPAC Name3-(1H-benzimidazol-2-yl)-7-ethyl-8-(4-fluorophenyl)-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
Molecular FormulaC20H15FN6O
Molecular Weight374.4
XLogP3.8
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity754
SMILES
CCC1=C(C2=NN=C(C(=O)N2N1)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)F
InChI
InChI=1S/C20H15FN6O/c1-2-13-16(11-7-9-12(21)10-8-11)19-25-24-17(20(28)27(19)26-13)18-22-14-5-3-4-6-15(14)23-18/h3-10,26H,2H2,1H3,(H,22,23)
InChIKey
NYMHHCXXFOXCIA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1H-benzimidazol-2-yl)-7-ethyl-8-(4-fluorophenyl)-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
CAS: 1846587-13-0
CID: 136988005
Formula: C20H15FN6O
MW: 374.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight374.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass374.12913729
Monoisotopic Mass374.12913729
Topological Polar Surface Area85.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity754
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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