WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130575
CAS#: 2761321-18-8
Description: BRD4 inhibitor 9a is a BRD4 inhibitor with an IC50 of 38.20 μM.
Hodoodo Cat#: H130575
Name: BRD4 inhibitor 9a
CAS#: 2761321-18-8
Chemical Formula: C16H15BrN4O4
Exact Mass: 406.03
Molecular Weight: 407.220
Elemental Analysis: C, 47.19; H, 3.71; Br, 19.62; N, 13.76; O, 15.72
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Synonym: BRD4-inhibitor-9a, BRD4 In 9a, BRD4-In-9a, BRD4-BD1-IN-1 (Compound 9a)
IUPAC/Chemical Name: (7-(3-Bromobenzyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl acetate
InChi Key: OEDSSFKMVLBERJ-UHFFFAOYSA-N
InChi Code: InChI=1S/C16H15BrN4O4/c1-9(22)25-8-12-18-14-13(15(23)19-16(24)20(14)2)21(12)7-10-4-3-5-11(17)6-10/h3-6H,7-8H2,1-2H3,(H,19,23,24)
SMILES Code: CC(OCC(N1CC2=CC=CC(Br)=C2)=NC(N(C)C(N3)=O)=C1C3=O)=O
Appearance: To be determined
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: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 407.22 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: | |
In vitro protocol: | |
In vivo protocol: |
1. Fan Y, Luo F, Su M, Li Q, Zhong T, Xiong L, Li M, Yuan M, Wang D. Structure optimization, synthesis, and biological evaluation of 6-(2-amino-1H-benzo[d]imidazole-6-yl)-quinazolin-4(3H)-one derivatives as potential multi-targeted anticancer agents via Aurora A/ PI3K/BRD4 inhibition. Bioorg Chem. 2023 Mar;132:106352. doi: 10.1016/j.bioorg.2023.106352. Epub 2023 Jan 18. PMID: 36682147.