MedKoo Cat#: 208195 | Name: BRD4 D1 inhibitor 26

Description:

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

Chemical Structure

BRD4 D1 inhibitor 26
BRD4 D1 inhibitor 26
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 208195

Name: BRD4 D1 inhibitor 26

CAS#: unknown

Chemical Formula: C33H39F3N6OC33H39F3N6O

Exact Mass: 592.3137

Molecular Weight: 592.31

Elemental Analysis: C, 66.87; H, 6.63; F, 9.62; N, 14.18; O, 2.70

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
BRD4-D1 inhibitor 26, BRD4-D1 inhibitor-26, BRD4D1inhibitor26
IUPAC/Chemical Name
2-(4-(5-(2-(5-Isopropyl-2-methylphenoxy)pyrimidin-4-yl)-4-(4-(trifluoromethyl)phenyl)-1H-imidazol-1-yl)piperidin-1-yl)-N,N-dimethylethan-1-amine
InChi Key
CWBUVSFBCHVOPH-UHFFFAOYSA-N
InChi Code
InChI=1S/C33H39F3N6O/c1-22(2)25-7-6-23(3)29(20-25)43-32-37-15-12-28(39-32)31-30(24-8-10-26(11-9-24)33(34,35)36)38-21-42(31)27-13-16-41(17-14-27)19-18-40(4)5/h6-12,15,20-22,27H,13-14,16-19H2,1-5H3
SMILES Code
CN(C)CCN1CCC(N2C(C3=NC(OC4=CC(C(C)C)=CC=C4C)=NC=C3)=C(C5=CC=C(C(F)(F)F)C=C5)N=C2)CC1
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
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 592.31 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
Cui H, Carlson AS, Schleiff MA, Divakaran A, Johnson JA, Buchholz CR, Zahid H, Vail NR, Shi K, Aihara H, Harki DA, Miller GP, Topczewski JJ, Pomerantz WCK. 4-Methyl-1,2,3-Triazoles as N-Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity. J Med Chem. 2021 Jul 22;64(14):10497-10511. doi: 10.1021/acs.jmedchem.1c00933. Epub 2021 Jul 8. PMID: 34236185; PMCID: PMC8491147.