| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
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| Targets |
SpCas9 ( IC50 = 22 μM )
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| ln Vitro |
In a dose-dependent manner, BRD0539 inhibits the development of the DNA-bound state. The disruption brought about by the 4PAM DNA is weakened by BRD0539[1]. The interaction between SpCas9 and gRNA is not disrupted by BRD0539[1]. Further demonstrating the specificity of BRD0539, while it is able to inhibit SpCas9 in the eGFP-disruption experiment, it is unable to inhibit FnCpf1, a structurally distinct CRISPR-associated nuclease, in the same assay[1].
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| Cell Assay |
This eGFP-disruption assay reverses the BRD0539-mediated inhibition of SpCas9 by utilizing 2×105 U2OS.eGFP.The SpCas9:gRNA complex is nucleofected into PEST cells. In a 96-well plate, roughly 22,000 transfected cells/well are plated in four duplicates with 15 μM BRD0539 or DMSO. For the AcrIIA4 reversibility experiments, a preformed SpCas9:gRNA (10 pmol) is nucleofected into U2OS.eGFP.PEST cells using the previously described protocol after being incubated with AcrIIA4 (5×) for 10 min. At the designated time point (2–24 h), the media is replaced with new media that does not contain BRD0539/AcrIIA4, and the cells are allowed to grow until 24 h post-nucleofection.
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| References |
| Molecular Formula |
C25H25FN2O3S
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|---|---|
| Exact Mass |
452.16
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| Elemental Analysis |
C, 66.35; H, 5.57; F, 4.20; N, 6.19; O, 10.61; S, 7.08
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| CAS # |
1403838-79-8
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| PubChem CID |
54666326
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
32
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| Complexity |
751
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| Defined Atom Stereocenter Count |
3
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| 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
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| InChi Key |
CZOIXFMISSBIJL-DCEDVJGZSA-N
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| InChi Code |
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
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| Chemical 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
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| Synonyms |
BRD0539; BRD 0539; BRD-0539
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : 91~100 mg/mL (201.1~221 mM)
Ethanol : ~31 mg/mL (~68.5 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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