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SCR7

CAT: 0013-GTR19163069-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163069-02Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SCR7 is a specific inhibitor of nonhomologous end-joining (NHEJ), blocks Ligase IV-mediated joining by interfering with its DNA binding but not that of T4 DNA Ligase or Ligase I; inhibits NHEJ in a Ligase IV-dependent manner within cells, causes accumulation of double-strand breaks (DSBs), and activates the intrinsic apoptotic pathway; decreases cell proliferation of MCF7, A549, and HeLa with IC50 of 40, 34, and 44 uM, respectively; increases the efficacy of DSB-inducing therapeutic modalities in mouse xenografts; increases the efficiency of precise genome editing with CRISPR-Cas9 in mammalian cell lines and in mice.
CAS Number
1533426-72-0
Product Name Alternative
SCR-7
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 45 mg/mL
Smiles
O=C (C (/N=C/C1=CC=CC=C1) =C (/N=C/C2=CC=CC=C2) N3) NC3=S
Molecular Formula
C18H14N4OS
Molecular Weight
334.395
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
4 (1H) -Pyrimidinone, 2,3-dihydro-5,6-bis[ (phenylmethylene) amino]-2-thioxo-

Chemical Information

CID 72708496
CAS Number1533426-72-0
PubChem CID72708496
IUPAC Name5-(benzylideneamino)-6-[(E)-benzylideneamino]-2-sulfanylidene-1H-pyrimidin-4-one
Molecular FormulaC18H14N4OS
Molecular Weight334.4
XLogP2.6
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity570
SMILES
C1=CC=C(C=C1)C=NC2=C(NC(=S)NC2=O)/N=C/C3=CC=CC=C3
InChI
InChI=1S/C18H14N4OS/c23-17-15(19-11-13-7-3-1-4-8-13)16(21-18(24)22-17)20-12-14-9-5-2-6-10-14/h1-12H,(H2,21,22,23,24)/b19-11?,20-12+
InChIKey
NEEVCWPRIZJJRJ-LWRDCAMISA-N
Chemical Structure
2D Structure
2D structure of CID 72708496
CAS: 1533426-72-0
CID: 72708496
Formula: C18H14N4OS
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass334.08883226
Monoisotopic Mass334.08883226
Topological Polar Surface Area97.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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