BRD0539 | CAS#1403838-79-8 | SpCas9 inhibitor

MedKoo Cat#: 555516 | Name: BRD0539

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

BRD 0539 is a cell-permeable and reversible SpCas9 (Streptococcus pyogenes Cas9) inhibitor. BRD 0539 shows dose-dependent SpCas9 inhibition in an in vitro DNA cleavage assay (apparent IC50 = 22 μM) and in an eGFP disruption assay (apparent EC50 = 11 μM). It allows dose and temporal control of SpCas9-based systems.

Chemical Structure

BRD0539

CAS#1403838-79-8

Theoretical Analysis

MedKoo Cat#: 555516

Name: BRD0539

CAS#: 1403838-79-8

Chemical Formula: C25H25FN2O3S

Exact Mass: 452.1570

Molecular Weight: 452.54

Elemental Analysis: C, 66.35; H, 5.57; F, 4.20; N, 6.19; O, 10.61; S, 7.08

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 750.00	2 Weeks
10mg	USD 1,250.00	2 Weeks

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Related CAS #

No Data

Synonym

BRD0539; BRD-0539; BRD 0539;

IUPAC/Chemical Name

(3aR,4R,9bR)-8-(2-Fluorophenyl)-2,3,3a,4,5,9b-hexahydro-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[3,2-c]quinoline-4-methanol

InChi Key

CZOIXFMISSBIJL-DCEDVJGZSA-N

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

SMILES Code

OC[C@@H]1NC2=C(C=C(C3=CC=CC=C3F)C=C2)[C@@]4([H])[C@]1([H])CCN4S(=O)(C5=CC=C(C)C=C5)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

	Solvent	mg/mL	mM
Solubility
	DMSO	45.3	100.00
	Ethanol	45.3	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 452.54 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.