BRD7586 is a cell-penetrating/penetrable small molecule inhibitor of SpCas9. BRD7586 is the smallest known anti-CRISPR inhibitor.

Physicochemical Properties

Molecular Formula	C17H14CLN3O3S2
Molecular Weight	407.89436006546
Exact Mass	407.02
Elemental Analysis	C, 50.06; H, 3.46; Cl, 8.69; N, 10.30; O, 11.77; S, 15.72
CAS #	895460-70-5
PubChem CID	22581367
Appearance	Off-white to light yellow solid powder
LogP	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	26
Complexity	570
Defined Atom Stereocenter Count	0
SMILES	C(NC1=NC(C2=CC=NC=C2)=CS1)(=O)CCS(C1=CC=C(Cl)C=C1)(=O)=O
InChi Key	MLSIIIMAQNQEOV-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H14ClN3O3S2/c18-13-1-3-14(4-2-13)26(23,24)10-7-16(22)21-17-20-15(11-25-17)12-5-8-19-9-6-12/h1-6,8-9,11H,7,10H2,(H,20,21,22)
Chemical Name	3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
Synonyms	BRD7586; BRD 7586; BRD-7586
HS Tariff Code	2934.99.9001
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)

Biological Activity

ln Vitro	In cells, BRD7586 selectively binds to SpCas9 but not Cas12a [1]. In the HiBiT-knock-in test, BRD7586 (0-20 μM; 24 h) dose-dependently inhibits SpCas9[1]. In HEK293T cells, BRD7586 (20 μM; 48 h) improves the on-target to off-target ratio [1].
References	[1]. A general approach to identify cell-permeable and synthetic anti-CRISPR small molecules. Nat Cell Biol. 2022 Dec;24(12):1766-1775.

Solubility Data

Solubility (In Vitro)

DMSO : ~10 mg/mL (~24.5 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (2.45 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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: ≥ 1 mg/mL (2.45 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 10.0 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.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4516 mL	12.2582 mL	24.5164 mL
	5 mM	0.4903 mL	2.4516 mL	4.9033 mL
	10 mM	0.2452 mL	1.2258 mL	2.4516 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.