BRD4770
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MedKoo CAT#: 406572

CAS#: 1374601-40-7

Description: BRD4770 is a novel histone methyltransferase inhibitor. BRD4770 reduced cellular levels of di- and trimethylated H3K9 without inducing apoptosis, induced senescence, and inhibited both anchorage-dependent and -independent proliferation in the pancreatic cancer cell line PANC-1. ATM-pathway activation, caused by either genetic or small-molecule inhibition of G9a, may mediate BRD4770-induced cell senescence. BRD4770 may be a useful tool to study G9a and its role in senescence and cancer cell biology.


Chemical Structure

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BRD4770
CAS# 1374601-40-7

Theoretical Analysis

MedKoo Cat#: 406572
Name: BRD4770
CAS#: 1374601-40-7
Chemical Formula: C25H23N3O3
Exact Mass: 413.17394
Molecular Weight: 413.47
Elemental Analysis: C, 72.62; H, 5.61; N, 10.16; O, 11.61

Price and Availability

Size Price Availability Quantity
10.0mg USD 90.0 Same day
25.0mg USD 150.0 Same day
50.0mg USD 250.0 Same day
100.0mg USD 450.0 Same day
200.0mg USD 750.0 Same day
500.0mg USD 1650.0 Same day
1.0g USD 2250.0 Same day
2.0g USD 3950.0 2 Weeks
5.0g USD 6950.0 2 Weeks
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Synonym: BRD4770; BRD-4770; BRD 4770.

IUPAC/Chemical Name: methyl 2-benzamido-1-(3-phenylpropyl)-1H-benzo[d]imidazole-5-carboxylate

InChi Key: UCGWYCMPZXDHNR-UHFFFAOYSA-N

InChi Code: InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)

SMILES Code: O=C(C1=CC=C2C(N=C(NC(C3=CC=CC=C3)=O)N2CCCC4=CC=CC=C4)=C1)OC

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, not in water

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

Biological target: BRD4770 is a histone methyltransferase G9a inhibitor.
In vitro activity: This study observed greatly elevated levels of monoubiquitinated FANCD2 and FANCI in the chromatin fraction of cells treated with BRD4770 alone (Figure 2A, compare lanes 3 and 9). This study observed a striking increase in the percentage of nuclei exhibiting greater than 5 FANCD2 foci in both U2OS and BJ-TERT cells following BRD4770 treatment (Figure 2B and Supplementary Figure 1A and 1B). Levels of FANCD2 nuclear foci formation in cells treated with BRD4770 alone were comparable to that observed following MMC treatment (Supplementary Figure 1A and 1B). These results identify BRD4770 as a major inducer of FANCD2 monoubiquitination and nuclear foci formation and strongly suggest that changes in histone methylation status are a critical determinant in the activation of the FA pathway. Consistent with BRD4770 functioning via the modification of chromatin structure, this study observed a distinct change in the staining pattern of the heterochromatin marker HP1α following BRD4770 treatment (Supplementary Figure 1C). Reference: Oncotarget. 2017 Sep 29; 8(44): 76443–76457. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5652718/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 12.71 171.72
DMF 20.0 48.37
DMF:PBS (pH 7.2) (1:2) 0.25 0.6

Preparing Stock Solutions

The following data is based on the product molecular weight 413.47 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. Vierra DA, Garzon JL, Rego MA, Adroved MM, Mauro M, Howlett NG. Modulation of the Fanconi anemia pathway via chemically induced changes in chromatin structure. Oncotarget. 2017 Jul 22;8(44):76443-76457. doi: 10.18632/oncotarget.19470. PMID: 29100324; PMCID: PMC5652718. 2. Yuan Y, Tang AJ, Castoreno AB, Kuo SY, Wang Q, Kuballa P, Xavier R, Shamji AF, Schreiber SL, Wagner BK. Gossypol and an HMT G9a inhibitor act in synergy to induce cell death in pancreatic cancer cells. Cell Death Dis. 2013 Jun 27;4(6):e690. doi: 10.1038/cddis.2013.191. PMID: 23807219; PMCID: PMC3702302.
In vitro protocol: 1. Vierra DA, Garzon JL, Rego MA, Adroved MM, Mauro M, Howlett NG. Modulation of the Fanconi anemia pathway via chemically induced changes in chromatin structure. Oncotarget. 2017 Jul 22;8(44):76443-76457. doi: 10.18632/oncotarget.19470. PMID: 29100324; PMCID: PMC5652718. 2. Yuan Y, Tang AJ, Castoreno AB, Kuo SY, Wang Q, Kuballa P, Xavier R, Shamji AF, Schreiber SL, Wagner BK. Gossypol and an HMT G9a inhibitor act in synergy to induce cell death in pancreatic cancer cells. Cell Death Dis. 2013 Jun 27;4(6):e690. doi: 10.1038/cddis.2013.191. PMID: 23807219; PMCID: PMC3702302.
In vivo protocol: TBD

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1: Yuan Y, Tang AJ, Castoreno AB, Kuo SY, Wang Q, Kuballa P, Xavier R, Shamji AF, Schreiber SL, Wagner BK. Gossypol and an HMT G9a inhibitor act in synergy to induce cell death in pancreatic cancer cells. Cell Death Dis. 2013 Jun 27;4:e690. doi: 10.1038/cddis.2013.191. PubMed PMID: 23807219; PubMed Central PMCID: PMC3702302.

2: Yuan Y, Wang Q, Paulk J, Kubicek S, Kemp MM, Adams DJ, Shamji AF, Wagner BK, Schreiber SL. A small-molecule probe of the histone methyltransferase G9a induces cellular senescence in pancreatic adenocarcinoma. ACS Chem Biol. 2012 Jul 20;7(7):1152-7. doi: 10.1021/cb300139y. Epub 2012 Apr 30. PubMed PMID: 22536950; PubMed Central PMCID: PMC3401036.

BRD4770

10.0mg / USD 90.0


Additional Information