BI-9564 | CAS#1883429-22-8 | BRD9 inhibitor

BI-9564
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406829

CAS#: 1883429-22-8

Description: BI-9564 is a potent and selective inhibitor of BRD9 and BRD7 bromodomains (Kds = 14.1 and 239 nM; IC50s = 75 nM and 3.4 µM, respectively). BI-9564 is useful in further exploring BRD9 bromodomain biology in both in vitro and in vivo settings. Selective inhibitors of bromodomain-containing protein 9 (BRD9) may have therapeutic potential in the treatment of human malignancies and inflammatory diseases.

Chemical Structure

BI-9564

CAS# 1883429-22-8

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 406829
Name: BI-9564
CAS#: 1883429-22-8
Chemical Formula: C20H23N3O3
Exact Mass: 353.17
Molecular Weight: 353.422
Elemental Analysis: C, 67.97; H, 6.56; N, 11.89; O, 13.58

Price and Availability

Size	Price	Availability
50mg	USD 750	2 weeks
100mg	USD 1350	2 weeks
200mg	USD 2250	2 weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: BI-9564; BI 9564; BI9564.

IUPAC/Chemical Name: 4-(4-((dimethylamino)methyl)-2,5-dimethoxyphenyl)-2-methyl-2,7-naphthyridin-1(2H)-one

InChi Key: BJFSUDWKXGMUKA-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H23N3O3/c1-22(2)11-13-8-19(26-5)15(9-18(13)25-4)17-12-23(3)20(24)16-10-21-7-6-14(16)17/h6-10,12H,11H2,1-5H3

SMILES Code: O=C1N(C)C=C(C2=CC(OC)=C(CN(C)C)C=C2OC)C3=CC=NC=C13

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: >2 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

Instruction:

View handling instruction

Biological target:	BI-9564 is a BRD9/BRD7 bromodomains inhibitor with IC50s of 75 nM and 3.4 μM, respectively.
In vitro activity:	Target engagement in the cell was demonstrated in a semiquantitative FRAP assay using a green fluorescent protein–BRD9 fusion protein expressed in U2OS cells. BI-9564 showed inhibition of BRD9 in cells at 100 nM. The cellular response to BRD9 inhibition was assessed in a broad cancer cell line panel. Treatment of the panel with BI-9564 resulted in selective growth inhibition of a significant proportion of AML cell lines tested (Supporting Information Figure 31). Reference: J Med Chem. 2016 May 26;59(10):4462-75. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4885110/
In vivo activity:	In order to evaluate the effect of BI-9564 in vivo, EOL-1 cells, stably transduced with a luciferase-expressing vector to allow continuous assessment of tumor load by bioluminescence, were injected in the tail vein of CIEA-NOG mice. Oral treatment with 180 mg/kg of BI-9564 was initiated on day 5 and applied daily (q.d.) with an interruption at days 18 and 19. A significant (p = 0.0086) reduction in tumor growth (measured in average radiance [p/s/cm2/sr]) compared to that of controls was observed on day 18, resulting in a median tumor growth inhibition (TGI) value of 52% (Figure 6a). Imaging data on day 18 provided evidence of a significantly reduced disease burden (Figure 6b) in mice treated with BI-9564. Reference: J Med Chem. 2016 May 26;59(10):4462-75. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4885110/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMF	5.0	14.15
	DMF:PBS (pH 7.2) (1:1)	0.5	1.41
	DMSO	5.4	15.39
	Ethanol	9.0	25.47

Preparing Stock Solutions

The following data is based on the product molecular weight 353.42 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. Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D. Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem. 2016 May 26;59(10):4462-75. doi: 10.1021/acs.jmedchem.5b01865. Epub 2016 Mar 10. PMID: 26914985; PMCID: PMC4885110.
In vitro protocol:	1. Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D. Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem. 2016 May 26;59(10):4462-75. doi: 10.1021/acs.jmedchem.5b01865. Epub 2016 Mar 10. PMID: 26914985; PMCID: PMC4885110.
In vivo protocol:	1. Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T, Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H, Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A, Pearson M, Boehmelt G, McConnell D. Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J Med Chem. 2016 May 26;59(10):4462-75. doi: 10.1021/acs.jmedchem.5b01865. Epub 2016 Mar 10. PMID: 26914985; PMCID: PMC4885110.

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1: Karim RM, Schönbrunn E. An Advanced Tool To Interrogate BRD9. J Med Chem. 2016
May 26;59(10):4459-61. doi: 10.1021/acs.jmedchem.6b00550. Epub 2016 Apr 27.
PubMed PMID: 27120693.

2: Martin LJ, Koegl M, Bader G, Cockcroft XL, Fedorov O, Fiegen D, Gerstberger T,
Hofmann MH, Hohmann AF, Kessler D, Knapp S, Knesl P, Kornigg S, Müller S, Nar H,
Rogers C, Rumpel K, Schaaf O, Steurer S, Tallant C, Vakoc CR, Zeeb M, Zoephel A,
Pearson M, Boehmelt G, McConnell D. Structure-Based Design of an in Vivo Active
Selective BRD9 Inhibitor. J Med Chem. 2016 May 26;59(10):4462-75. doi:
10.1021/acs.jmedchem.5b01865. Epub 2016 Mar 10. PubMed PMID: 26914985; PubMed
Central PMCID: PMC4885110.

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