BRD-K98645985 | CAS#1357647-78-9 | BAF Transcriptional Repression Inhibitor

MedKoo Cat#: 564952 | Name: BRD-K98645985

Description:

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

BRD-K98645985 is an inhibitor of BAF transcriptional repression which targets specific ARID1A-containing BAF complexes, and reverses HIV-1 latency, and is non-toxic to T cells.

Chemical Structure

BRD-K98645985

CAS#1357647-78-9

Theoretical Analysis

MedKoo Cat#: 564952

Name: BRD-K98645985

CAS#: 1357647-78-9

Chemical Formula: C33H43N5O4

Exact Mass: 573.3315

Molecular Weight: 573.74

Elemental Analysis: C, 69.08; H, 7.55; N, 12.21; O, 11.15

Price and Availability

Size	Price	Availability
1mg	USD 450.00	Ready to Ship
5mg	USD 1,650.00	Ready to Ship
10mg	USD 2,950.00	Ready to Ship
25mg	USD 5,250.00	Ready to Ship

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

1357647-78-9

Synonym

BRDK98645985; BRD K98645985; BRD-K98645985

IUPAC/Chemical Name

1-Isopropyl-3-((3S,6S,7R)-7-methoxy-3,6,9-trimethyl-10-oxo-4-(4-(pyridin-2-yl)benzyl)-3,4,5,6,7,8,9,10-octahydro-2H-benzo[k][1]oxa[4,9]diazacyclododecin-12-yl)urea

InChi Key

DZGZFXRKNSZUSK-MKGJDZFWSA-N

InChi Code

InChI=1S/C33H43N5O4/c1-22(2)35-33(40)36-27-14-15-30-28(17-27)32(39)37(5)20-31(41-6)23(3)18-38(24(4)21-42-30)19-25-10-12-26(13-11-25)29-9-7-8-16-34-29/h7-17,22-24,31H,18-21H2,1-6H3,(H2,35,36,40)/t23-,24-,31-/m0/s1

SMILES Code

O=C(NC1=CC=C(OC[C@H](C)N(CC2=CC=C(C3=NC=CC=C3)C=C2)C[C@H](C)[C@@H](OC)CN(C)C4=O)C4=C1)NC(C)C

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

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#Y23X07M19

QC Data

View QC data: current batch, Lot#Y23X07M19

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

BRD-K98645985 is a BAF (mammalian SWI/SNF) transcriptional repression inhibitor with an EC50 of ~2.37 µM. BRD-K98645985 binds ARID1A-specific BAF complexes, prevents nucleosomal positioning, and potently reverses HIV-1 latency, without T cell activation or toxicity.

In vitro activity:

BRD-K98645985 binds ARID1A-specific BAF complexes, prevents nucleosomal positioning, and relieves transcriptional repression of HIV-1. Through this mechanism, BRD-K98645985 is able to reverse HIV-1 latency in an in vitro T cell line, an ex vivo primary cell model of HIV-1 latency, and in patient CD4+ T cells without toxicity or T cell activation. Reference: Cell Chem Biol. 2018 Dec 20;25(12):1443-1455.e14. https://pubmed.ncbi.nlm.nih.gov/30197195/

In vivo activity:

To be determined

	Solvent	mg/mL	mM
Solubility
	DMSO	250.0	435.75

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 573.74 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.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Marian CA, Stoszko M, Wang L, Leighty MW, de Crignis E, Maschinot CA, Gatchalian J, Carter BC, Chowdhury B, Hargreaves DC, Duvall JR, Crabtree GR, Mahmoudi T, Dykhuizen EC. Small Molecule Targeting of Specific BAF (mSWI/SNF) Complexes for HIV Latency Reversal. Cell Chem Biol. 2018 Dec 20;25(12):1443-1455.e14. doi: 10.1016/j.chembiol.2018.08.004. Epub 2018 Sep 6. PMID: 30197195; PMCID: PMC6404985.

In vitro protocol:

In vivo protocol:

To be determined