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RI-2

CAT: 1410-M17284-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M17284-06Size:50 mg
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Description
RI-2 is an optimized RAD51 inhibitor with an IC50 of 44.17 μM in the standard DNA binding assay; specifically inhibits HR (Homologous recombination) repair in human cells.
CAS Number
1417162-36-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
433.28
Molecular Formula
C21H18Cl2N2O4
Notes
Research use only, not for human use.
Receptor
RAD51

Chemical Information

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-morpholino-1H-pyrrole-2,5-dione

structure in first source

CAS Number1417162-36-7
PubChem CID71547138
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
Molecular FormulaC21H18Cl2N2O4
Molecular Weight433.3
XLogP3.9
Topological Polar Surface Area59.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity672
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)N4CCOCC4
InChI
InChI=1S/C21H18Cl2N2O4/c1-28-15-5-2-13(3-6-15)18-19(24-8-10-29-11-9-24)21(27)25(20(18)26)14-4-7-16(22)17(23)12-14/h2-7,12H,8-11H2,1H3
InChIKey
JMPJNNOSVCHYOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-4-morpholino-1H-pyrrole-2,5-dione
CAS: 1417162-36-7
CID: 71547138
Formula: C21H18Cl2N2O4
MW: 433.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight433.3
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass432.0643624
Monoisotopic Mass432.0643624
Topological Polar Surface Area59.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity672
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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