TNFα-IN-42 | CAS#2074702-04-6 | TNFα inhibitor

MedKoo Cat#: 464047 | Name: TNFα-IN-42

Description:

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

TNFα-IN-42 is a novel potent inhibitor of tumor necrosis factor alpha (TNFα), distorting the TNFα trimer upon binding, leading to aberrant signaling when the trimer binds to TNF receptor 1 (TNFR1).

Chemical Structure

TNFα-IN-42

CAS#2074702-04-6

Theoretical Analysis

MedKoo Cat#: 464047

Name: TNFα-IN-42

CAS#: 2074702-04-6

Chemical Formula: C25H21ClF2N6O

Exact Mass: 494.1433

Molecular Weight: 494.93

Elemental Analysis: C, 60.67; H, 4.28; Cl, 7.16; F, 7.68; N, 16.98; O, 3.23

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

TNFα-IN-42; TNFαIN-42; TNFα IN-42; TNFα-IN42; TNFα-IN 42; TNFαIN42; TNFα IN 42; TNFalpha-IN-2; TNFalphaIN-2; TNFalpha IN-2; TNFalpha-IN2; TNFalpha-IN 2; TNFalphaIN2; TNFalpha IN 2;

IUPAC/Chemical Name

(R)-3-(1-((3-chloro-7-fluoro-6-(2-(2-hydroxypropan-2-yl)pyrimidin-5-yl)-2-methyl-1,5-naphthyridin-4-yl)amino)ethyl)-4-fluorobenzonitrile

InChi Key

UDLNDXDUOBMZIQ-GFCCVEGCSA-N

InChi Code

InChI=1S/C25H21ClF2N6O/c1-12(16-7-14(9-29)5-6-17(16)27)33-23-20(26)13(2)32-19-8-18(28)21(34-22(19)23)15-10-30-24(31-11-15)25(3,4)35/h5-8,10-12,35H,1-4H3,(H,32,33)/t12-/m1/s1

SMILES Code

N#CC1=CC=C(F)C([C@H](NC2=C(Cl)C(C)=NC3=CC(F)=C(C4=CN=C(C(C)(O)C)N=C4)N=C23)C)=C1

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

	Solvent	mg/mL	mM	comments
Solubility
	Soluble in DMSO	0.0	100.00

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 494.93 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: Banno T, Gazel A, Blumenberg M. Effects of tumor necrosis factor-alpha (TNF alpha) in epidermal keratinocytes revealed using global transcriptional profiling. J Biol Chem. 2004 Jul 30;279(31):32633-42. doi: 10.1074/jbc.M400642200. Epub 2004 May 15. PMID: 15145954.