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BRD 7116

CAT: 0013-GTR19175009-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175009-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD7116 is a competitive inhibitor of bacterial DNA gyrase. This small molecule exhibits cell-non-autonomous activity against leukemia, making it a candidate for research in oncology and microbiology. It is suitable for both in vitro enzymatic assays and in vivo leukemia model studies.
CAS Number
329059-55-4
Product Name Alternative
Inhibit, Inhibitor, Bacterial, BRD 7716, BRD 7116, BRD7116, BRD-7116, BRD7716, BRD-7716, DNA gyrase, DNAgyrase
Field of Research
Cancer Biology
Purity
>98%
Bioactivity
Leukemia cancer stem cell inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 40 mg/ml) or in Ethanol (up to 15 mg/ml)
Smiles
CC1 (C) C (C (=O) NC2C=CC (=CC2=S (=O) =O) c2ccc (NC (=O) C3C (C) (C) C3 (C) C) cc2) C1 (C) C
Molecular Formula
C28H36N2O4S
Molecular Weight
496.66
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
N, N’- (Sulfonyldi-1,4-phenylene) bis[2,2,3,3-tetramethylcyclopropanecarboxamide]

Chemical Information

2,2,3,3-tetramethyl-N-[4-[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[4-[4-[[oxo-(2,2,3,3-tetramethylcyclopropyl)methyl]amino]phenyl]sulfonylphenyl]-1-cyclopropanecarboxamide is an anilide.

CAS Number329059-55-4
PubChem CID981129
IUPAC Name2,2,3,3-tetramethyl-N-[4-[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]cyclopropane-1-carboxamide
Molecular FormulaC28H36N2O4S
Molecular Weight496.7
XLogP5.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity859
SMILES
CC1(C(C1(C)C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4C(C4(C)C)(C)C)C
InChI
InChI=1S/C28H36N2O4S/c1-25(2)21(26(25,3)4)23(31)29-17-9-13-19(14-10-17)35(33,34)20-15-11-18(12-16-20)30-24(32)22-27(5,6)28(22,7)8/h9-16,21-22H,1-8H3,(H,29,31)(H,30,32)
InChIKey
UHXFWAHRAMUDLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,3,3-tetramethyl-N-[4-[4-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]cyclopropane-1-carboxamide
CAS: 329059-55-4
CID: 981129
Formula: C28H36N2O4S
MW: 496.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.7
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass496.23957881
Monoisotopic Mass496.23957881
Topological Polar Surface Area101 Ų
Heavy Atom Count35
Formal Charge0
Complexity859
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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