MedKoo Cat#: 121210 | Name: dBRD4-BD1

Description:

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

dBRD4-BD1 is a selective BRD4 bromodomain inhibitor. dBRD4-BD1 can selectively degrade BRD4 (DC50 = 280 nM). Notably, dBRD4-BD1 upregulates BRD2/3, a result not observed with degraders using pan-BET ligands. Designing BRD4 selectivity up front enables analysis of BRD4 biology without wider BET-inhibition and simplifies designing BRD4-selective heterobifunctional molecules, such as degraders with new E3 recruiting ligands or for additional probes beyond degraders.

Chemical Structure

dBRD4-BD1
dBRD4-BD1
CAS#2839318-19-1

Theoretical Analysis

MedKoo Cat#: 121210

Name: dBRD4-BD1

CAS#: 2839318-19-1

Chemical Formula: C50H53F3N8O9

Exact Mass: 966.3888

Molecular Weight: 967.02

Elemental Analysis: C, 62.10; H, 5.52; F, 5.89; N, 11.59; O, 14.89

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
dBRD4-BD1; dBRD4BD1; dBRD4 BD1
IUPAC/Chemical Name
2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)-N-(2-(2-(2-(4-(5-(2-(5-isopropyl-2-methylphenoxy)pyrimidin-4-yl)-4-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)piperidin-1-yl)ethoxy)ethoxy)ethyl)acetamide
InChi Key
JNAQDGFRVGMPDL-UHFFFAOYSA-N
InChi Code
InChI=1S/C50H53F3N8O9/c1-30(2)33-8-7-31(3)40(27-33)70-49-55-18-15-37(57-49)45-44(32-9-11-34(12-10-32)50(51,52)53)56-29-60(45)35-16-20-59(21-17-35)22-24-68-26-25-67-23-19-54-42(63)28-69-39-6-4-5-36-43(39)48(66)61(47(36)65)38-13-14-41(62)58-46(38)64/h4-12,15,18,27,29-30,35,38H,13-14,16-17,19-26,28H2,1-3H3,(H,54,63)(H,58,62,64)
SMILES Code
O=C(N(C1C(NC(CC1)=O)=O)C2=O)C3=C2C(OCC(NCCOCCOCCN4CCC(N5C(C6=CC=NC(OC7=C(C)C=CC(C(C)C)=C7)=N6)=C(C8=CC=C(C(F)(F)F)C=C8)N=C5)CC4)=O)=CC=C3
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

Preparing Stock Solutions

The following data is based on the product molecular weight 967.02 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
Divakaran A, Scholtz CR, Zahid H, Lin W, Griffith EC, Lee RE, Chen T, Harki DA, Pomerantz WCK. Development of an N-Terminal BRD4 Bromodomain-Targeted Degrader. ACS Med Chem Lett. 2022 Sep 29;13(10):1621-1627. doi: 10.1021/acsmedchemlett.2c00300. PMID: 36262390; PMCID: PMC9575167.