MedKoo Cat#: 562146 | Name: BRD4-Kinases-IN-3

Description:

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

BRD4-Kinases-IN-3 is a dual BRD4-Kinases inhinitor that acts as a value added multi-targeted chemical probe for cancer therapeutics.

Chemical Structure

BRD4-Kinases-IN-3
BRD4-Kinases-IN-3
CAS#1877286-69-5

Theoretical Analysis

MedKoo Cat#: 562146

Name: BRD4-Kinases-IN-3

CAS#: 1877286-69-5

Chemical Formula: C26H34FN7O2S

Exact Mass: 527.2479

Molecular Weight: 527.66

Elemental Analysis: C, 59.18; H, 6.50; F, 3.60; N, 18.58; O, 6.06; S, 6.08

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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Synonym
BRD4-Kinases-IN-3; BRD4 Kinases IN 3; BRD4KinasesIN3; BRD4 kinases inhibitor 3; BRD4-Kinases inhibitor-3;
IUPAC/Chemical Name
N-(3-((2-((3-Fluoro-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methylpyrimidin-4-yl)amino)phenyl)-2-methylpropane-2-sulfonamide
InChi Key
OGJFKWUOCYNWAB-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H34FN7O2S/c1-18-17-28-25(30-20-9-10-23(22(27)16-20)34-13-11-33(5)12-14-34)31-24(18)29-19-7-6-8-21(15-19)32-37(35,36)26(2,3)4/h6-10,15-17,32H,11-14H2,1-5H3,(H2,28,29,30,31)
SMILES Code
CC(S(=O)(NC1=CC=CC(NC2=NC(NC3=CC=C(N4CCN(C)CC4)C(F)=C3)=NC=C2C)=C1)=O)(C)C
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 527.66 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
1: Ember SW, Lambert QT, Berndt N, Gunawan S, Ayaz M, Tauro M, Zhu JY, Cranfill PJ, Greninger P, Lynch CC, Benes CH, Lawrence HR, Reuther GW, Lawrence NJ, Schönbrunn E. Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol Cancer Ther. 2017 Jun;16(6):1054-1067. doi: 10.1158/1535-7163.MCT-16-0568-T. Epub 2017 Mar 23. PubMed PMID: 28336808; PubMed Central PMCID: PMC5457702.