IRAK4-IN-16 | CAS#509093-72-5 | IRAK4 inhibitor

MedKoo Cat#: 562216 | Name: IRAK4-IN-16

Description:

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

IRAK4-IN-16 is a potent, selective, and orally bioavailable inhibitor of interleukin-1 receptor-associate kinase-4 (IRAK4).

Chemical Structure

IRAK4-IN-16

CAS#509093-72-5

Theoretical Analysis

MedKoo Cat#: 562216

Name: IRAK4-IN-16

CAS#: 509093-72-5

Chemical Formula: C27H25F3N4O

Exact Mass: 478.1980

Molecular Weight: 478.51

Elemental Analysis: C, 67.77; H, 5.27; F, 11.91; N, 11.71; O, 3.34

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

IRAK4-IN-16; IRAK4 IN 16; IRAK4IN16;

IUPAC/Chemical Name

N-(1-Phenyl-5-(piperidin-1-ylmethyl)-1H-benzo[d]imidazol-2-yl)-3-(trifluoromethyl)benzamide

InChi Key

CLRGCYMGDBZQTB-UHFFFAOYSA-N

InChi Code

InChI=1S/C27H25F3N4O/c28-27(29,30)21-9-7-8-20(17-21)25(35)32-26-31-23-16-19(18-33-14-5-2-6-15-33)12-13-24(23)34(26)22-10-3-1-4-11-22/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,31,32,35)

SMILES Code

O=C(NC1=NC2=CC(CN3CCCCC3)=CC=C2N1C4=CC=CC=C4)C5=CC=CC(C(F)(F)F)=C5

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 478.51 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.

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: Cheng BY, Lau EY, Leung HW, Leung CO, Ho NP, Gurung S, Cheng LK, Lin CH, Lo RC, Ma S, Ng IO, Lee TK. IRAK1 augments cancer stemness and drug resistance via the AP-1/AKR1B10 signaling cascade in hepatocellular carcinoma. Cancer Res. 2018 Feb 26. pii: canres.2445.2017. doi: 10.1158/0008-5472.CAN-17-2445. [Epub ahead of print] PubMed PMID: 29483095. 2: Seganish WM, Fischmann TO, Sherborne B, Matasi J, Lavey B, McElroy WT, Tulshian D, Tata J, Sondey C, Garlisi CG, Devito K, Fossetta J, Lundell D, Niu X. Discovery and Structure Enabled Synthesis of 2,6-Diaminopyrimidin-4-one IRAK4 Inhibitors. ACS Med Chem Lett. 2015 Jul 12;6(8):942-7. doi: 10.1021/acsmedchemlett.5b00279. eCollection 2015 Aug 13. PubMed PMID: 26288698; PubMed Central PMCID: PMC4538434.