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MedKoo Cat#: 130003 | Name: iBRD4-BD1

Description:

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

iBRD4-BD1 is a selective inhibitor of the first BRD4 bromodomain (IC50 = 12 nM, 23- to 6200-fold intra-BET selectivity).

Chemical Structure

iBRD4-BD1
iBRD4-BD1
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 130003

Name: iBRD4-BD1

CAS#: N/A

Chemical Formula: C29H30F3N5O

Exact Mass: 521.2402

Molecular Weight: 521.59

Elemental Analysis: C, 66.78; H, 5.80; F, 10.93; N, 13.43; O, 3.07

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 #
No Data
Synonym
iBRD4-BD1
IUPAC/Chemical Name
2-(5-Isopropyl-2-methylphenoxy)-4-(1-(piperidin-4-yl)-4-(4-(trifluoromethyl)phenyl)-1H-imidazol-5-yl)pyrimidine
InChi Key
ULDFEUPLPPWJDA-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H30F3N5O/c1-18(2)21-5-4-19(3)25(16-21)38-28-34-15-12-24(36-28)27-26(20-6-8-22(9-7-20)29(30,31)32)35-17-37(27)23-10-13-33-14-11-23/h4-9,12,15-18,23,33H,10-11,13-14H2,1-3H3
SMILES Code
FC(C1=CC=C(C2=C(C3=NC(OC4=CC(C(C)C)=CC=C4C)=NC=C3)N(C5CCNCC5)C=N2)C=C1)(F)F
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
iBRD4-BD1 (IC50 = 12 nM, 23- to 6200-fold intra-BET selectivity) was used to develop dBRD4-BD1 to selectively degrade BRD4 (DC50 = 280 nM). dBRD4-BD1 upregulates BRD2/3, which has not previously been observed with degraders using pan-BET ligands.

Preparing Stock Solutions

The following data is based on the product molecular weight 521.59 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.