BRD4-BD1 inhibitor 16d

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Hodoodo CAT#: H130576

CAS#: 2761321-26-8

Description: BRD4-BD1 inhibitor 16d is a novel BRD4-BD1-selective inhibitor. It shows significant selectivity for two bromodomains of BRD4, where the inhibition of BD1 (IC50 = 2.51 µM) was 20-times greater than that of BD2 (IC50 > 50 µM).

Chemical Structure

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BRD4-BD1 inhibitor 16d
CAS# 2761321-26-8
Instruction

Theoretical Analysis

Hodoodo Cat#: H130576
Name: BRD4-BD1 inhibitor 16d
CAS#: 2761321-26-8
Chemical Formula: C20H15Br3N4O2
Exact Mass: 579.87
Molecular Weight: 583.080
Elemental Analysis: C, 41.20; H, 2.59; Br, 41.11; N, 9.61; O, 5.49

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: BRD4-BD1 In 16d, BRD4 BD1 inhibitor 16d, BRD4-BD1 In 16d, BRD4 BD1 In 16d

IUPAC/Chemical Name: 8-Bromo-1,7-bis(4-bromobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

InChi Key: OPAIYDQJAQCNOX-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H15Br3N4O2/c1-25-17-16(26(19(23)24-17)10-12-2-6-14(21)7-3-12)18(28)27(20(25)29)11-13-4-8-15(22)9-5-13/h2-9H,10-11H2,1H3

SMILES Code: O=C(N1CC2=CC=C(Br)C=C2)N(C)C3=C(N(CC4=CC=C(Br)C=C4)C(Br)=N3)C1=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:

Preparing Stock Solutions

The following data is based on the product molecular weight 583.08 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:
In vitro protocol:
In vivo protocol:

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1. Chang, Y., Zhang, J., Yang, S. et al. Design, synthesis, biological evaluation, and molecular docking of 1,7-dibenzyl-substituted theophylline derivatives as novel BRD4-BD1-selective inhibitors. Med Chem Res 30, 1453–1468 (2021). https://doi.org/10.1007/s00044-021-02737-2