BI-894999
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MedKoo CAT#: 206845

CAS#: 1660117-38-3

Description: BI-894999 is a potent and selective BET inhibitor potentially useful for the Treatment of hematological malignancies by repression of super-enhancer driven oncogenes. BI-894999 is a highly potent drug, particularly in hematological cell lines (n>40) such as MM, AML and lymphoma. BI 894999 treatment leads to G1 arrest and subsequent apoptosis. BI 894999 is found to regulate a very distinct set of genes. As already known.


Chemical Structure

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BI-894999
CAS# 1660117-38-3

Theoretical Analysis

MedKoo Cat#: 206845
Name: BI-894999
CAS#: 1660117-38-3
Chemical Formula: C25H27N5O2
Exact Mass: 429.2165
Molecular Weight: 429.524
Elemental Analysis: C, 69.91; H, 6.34; N, 16.31; O, 7.45

Price and Availability

Size Price Availability Quantity
25.0mg USD 550.0 2 Weeks
50.0mg USD 950.0 2 Weeks
100.0mg USD 1550.0 2 Weeks
200.0mg USD 2550.0 2 Weeks
500.0mg USD 3650.0 2 Weeks
1.0g USD 4650.0 2 Weeks
2.0g USD 8450.0 2 Weeks
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Synonym: BI-894999; BI894999; BI 894999.

IUPAC/Chemical Name: (S)-2,4-dimethyl-6-(1-(1-phenylethyl)-6-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl)pyridazin-3(2H)-one

InChi Key: QNFGQQDKBYVNAS-KRWDZBQOSA-N

InChi Code: InChI=1S/C25H27N5O2/c1-16-13-21(28-29(3)25(16)31)24-27-22-15-26-20(19-9-11-32-12-10-19)14-23(22)30(24)17(2)18-7-5-4-6-8-18/h4-8,13-15,17,19H,9-12H2,1-3H3/t17-/m0/s1

SMILES Code: CN1C(C(C)=CC(C2=NC3=CN=C(C4CCOCC4)C=C3N2[C@@H](C)C5=CC=CC=C5)=N1)=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: >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

Product Data:

Biological target: BI 894999 is a BET inhibitor with IC50s of 5 nM and 41 nM for the binding of BRD4-BD1 and BRD4-BD2 to acetylated histones, respectively.
In vitro activity: Treatment of MV-4-11B cells with BI 894999 for 72 h led to induction of a G1 arrest with an increase in cells in sub-G1, indicative for apoptosis (Suppl. Figure 2). Significant inhibition of proliferation was observed at concentrations of 10 nM BI 894999. Dose-dependent apoptosis peaked at around 40 h after the start of treatment (Suppl. Figure 3A, B). Reference: Oncogene. 2018 May;37(20):2687-2701. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5955861/
In vivo activity: For in vivo studies, BI 894999 was administered at daily oral doses of 2 or 4 mg/kg to mice engrafted intravenously with human MV-4-11B AML cells (Suppl. Table 5). This treatment resulted in tumor growth inhibition (TGI) of 96 or 99% and survival prolongation of 29.5 or 52 days, respectively (Fig. 2a). Reference: Oncogene. 2018 May;37(20):2687-2701. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5955861/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 86.0 200.22
Ethanol 86.0 200.22

Preparing Stock Solutions

The following data is based on the product molecular weight 429.524 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.

Recalculate based on batch purity %
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. Gerlach D, Tontsch-Grunt U, Baum A, Popow J, Scharn D, Hofmann MH, Engelhardt H, Kaya O, Beck J, Schweifer N, Gerstberger T, Zuber J, Savarese F, Kraut N. The novel BET bromodomain inhibitor BI 894999 represses super-enhancer-associated transcription and synergizes with CDK9 inhibition in AML. Oncogene. 2018 May;37(20):2687-2701. doi: 10.1038/s41388-018-0150-2. Epub 2018 Mar 1. PMID: 29491412; PMCID: PMC5955861.
In vitro protocol: 1. Gerlach D, Tontsch-Grunt U, Baum A, Popow J, Scharn D, Hofmann MH, Engelhardt H, Kaya O, Beck J, Schweifer N, Gerstberger T, Zuber J, Savarese F, Kraut N. The novel BET bromodomain inhibitor BI 894999 represses super-enhancer-associated transcription and synergizes with CDK9 inhibition in AML. Oncogene. 2018 May;37(20):2687-2701. doi: 10.1038/s41388-018-0150-2. Epub 2018 Mar 1. PMID: 29491412; PMCID: PMC5955861.
In vivo protocol: 1. Gerlach D, Tontsch-Grunt U, Baum A, Popow J, Scharn D, Hofmann MH, Engelhardt H, Kaya O, Beck J, Schweifer N, Gerstberger T, Zuber J, Savarese F, Kraut N. The novel BET bromodomain inhibitor BI 894999 represses super-enhancer-associated transcription and synergizes with CDK9 inhibition in AML. Oncogene. 2018 May;37(20):2687-2701. doi: 10.1038/s41388-018-0150-2. Epub 2018 Mar 1. PMID: 29491412; PMCID: PMC5955861.

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