≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
BRD0539 BRD0539 is a potent inhibitor of Streptococcus pyogenes Cas9 (SpCas9) with IC50 of 22 μM in an in vitro DNA cleavage assay.
Targets
SpCas9 (Cell-free assay) 22 μM
In vitro
BRD0539 is stable in human plasma and reversibly inhibits SpCas9. BRD0539 does not interfere with the SpCas9:gRNA interaction. BRD0539 dose-dependently blocks the formation of the DNA-bound state in a dose-dependent fashion. BRD0539 impairs the perturbation induced by the 4PAM DNA. BRD0539 is able to inhibit SpCas9 in the eGFP-disruption assay.
Cell Research(from reference)
Cell lines：U2OS.eGFP.PEST cells
Concentrations：15 μM
Incubation Time：2–24 h
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C2C4=C(C=CC(=C4)C5=CC=CC=C5F)NC3CO |
|---|---|
| IUPAC Name | [(3aR,4R,9bR)-8-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol |
| InChIKey | CZOIXFMISSBIJL-DCEDVJGZSA-N |
| INCHI | 1S/C25H25FN2O3S/c1-16-6-9-18(10-7-16)32(30,31)28-13-12-20-24(15-29)27-23-11-8-17(14-21(23)25(20)28)19-4-2-3-5-22(19)26/h2-11,14,20,24-25,27,29H,12-13,15H2,1H3/t20-,24+,25-/m1/s1 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@H]3[C@@H]2C4=C(C=CC(=C4)C5=CC=CC=C5F)N[C@H]3CO |
| Molecular Weight | 452.54 |
| Reaxy-Rn | 56848416 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=56848416&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Phenylquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylquinolines |
| Alternative Parents | N,N-disubstituted p-toluenesulfonamides Pyrroloquinolines Benzenesulfonamides Hydroquinolines Benzenesulfonyl compounds Aralkylamines Fluorobenzenes Secondary alkylarylamines Organosulfonamides Aryl fluorides Sulfonyls Pyrrolidines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylquinoline - N,n-disubstituted p-toluenesulfonamide - Pyrroloquinoline - P-toluenesulfonamide - Benzenesulfonamide - Tetrahydroquinoline - Tosyl compound - Benzenesulfonyl group - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Organosulfonic acid amide - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Pyrrolidine - 1,2-aminoalcohol - Secondary amine - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Amine - Organic oxide - Primary alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group. |
| External Descriptors | Not available |
| Solubility | Solubility (25°C) In vitro DMSO: 91 mg/mL (201.08 mM); Ethanol: 31 mg/mL (68.5 mM); Water: Insoluble; |
|---|---|
| Molecular Weight | 452.500 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 452.157 Da |
| Monoisotopic Mass | 452.157 Da |
| Topological Polar Surface Area | 78.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 751.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
