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RAD51-IN-5

CAT: 0804-HY-143736-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-143736-01Size:5 mg
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Description
RAD51-IN-5 is a potent inhibitor of RAD51. RAD51 is a eukaryote gene. RAD51-IN-5 has the potential for the research of conditions involving mitochondrial defects (extracted from patent WO2021164746A1, compound 3) [1].
CAS Number
2690367-19-0
UNSPSC
12352005
Target
RAD51
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/rad51-in-5.html
Concentration
10mM
Purity
98.87
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CC(C)S(=N)(C1=C(C2=CN=C([C@@]3([H])CC[C@@H](CC3)NC(OC(C)C)=O)S2)C=CC(NC(OC(C)C)=O)=C1)=O
Molecular Formula
C26H38N4O5S2
Molecular Weight
550.73
References & Citations
[1]Peng Gu, et al. Substituted aryl compound. Patent WO2021164746A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Rad51-IN-5
CAS Number2690367-19-0
PubChem CID163408792
IUPAC Namepropan-2-yl N-[4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]-3-(propan-2-ylsulfonimidoyl)phenyl]carbamate
Molecular FormulaC26H38N4O5S2
Molecular Weight550.7
XLogP6.2
Topological Polar Surface Area167
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity884
SMILES
CC(C)OC(=O)NC1CCC(CC1)C2=NC=C(S2)C3=C(C=C(C=C3)NC(=O)OC(C)C)S(=N)(=O)C(C)C
InChI
InChI=1S/C26H38N4O5S2/c1-15(2)34-25(31)29-19-9-7-18(8-10-19)24-28-14-22(36-24)21-12-11-20(30-26(32)35-16(3)4)13-23(21)37(27,33)17(5)6/h11-19,27H,7-10H2,1-6H3,(H,29,31)(H,30,32)
InChIKey
IFAJQXQNZPNAHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rad51-IN-5
CAS: 2690367-19-0
CID: 163408792
Formula: C26H38N4O5S2
MW: 550.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.7
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass550.22836267
Monoisotopic Mass550.22836267
Topological Polar Surface Area167 Ų
Heavy Atom Count37
Formal Charge0
Complexity884
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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