Decernotinib| CAS#944842-54-0 | JAK3 inhibitor

MedKoo Cat#: 206134 | Name: Decernotinib

Description:

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

Decernotinib, also known as VX-509 or VRT-831509 or adelatinib, is an oral, selective Janus kinase 3 (JAK3) inhibitor being developed by Vertex. VX-509 may represent a new approach to treating an underlying disease mechanism that triggers inflammation in a number of debilitating diseases, including RA. In immune-mediated diseases, JAK3 is an essential component of the immune signaling cascade. This cascade ultimately contributes to abnormal immune response that results in chronic inflammation and, in the case of RA, irreversible damage to cartilage and bones.

Chemical Structure

Decernotinib

CAS#944842-54-0

Theoretical Analysis

MedKoo Cat#: 206134

Name: Decernotinib

CAS#: 944842-54-0

Chemical Formula: C18H19F3N6O

Exact Mass: 392.1572

Molecular Weight: 392.38

Elemental Analysis: C, 55.10; H, 4.88; F, 14.53; N, 21.42; O, 4.08

Price and Availability

Size	Price	Availability
25mg	USD 250.00	2 Weeks
50mg	USD 450.00	2 Weeks
100mg	USD 750.00	2 Weeks
200mg	USD 1,250.00	2 Weeks
500mg	USD 2,650.00	2 Weeks
1g	USD 3,950.00	2 Weeks
2g	USD 5,950.00	2 Weeks

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Synonym

VX509; VX-509; VX 509 ; VRT831509 ; VRT-831509 ; VRT 831509; Decernotinib; Adelatinib.

IUPAC/Chemical Name

(R)-2-((2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide

InChi Key

ASUGUQWIHMTFJL-QGZVFWFLSA-N

InChi Code

InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1

SMILES Code

CC[C@](NC1=NC(C2=CNC3=NC=CC=C32)=NC=C1)(C)C(NCC(F)(F)F)=O

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, not in water

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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Decernotinib is a potent, orally active JAK3 inhibitor, with Kis of 2.5, 11, 13 and 11 nM for JAK3, JAK1, JAK2, and TYK2, respectively.

In vitro activity:

The aim of this study was to evaluate the potency and selectivity of the investigational JAK3 inhibitor VX-509 (decernotinib) [(R)-2((2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl)amino)-2-methyl-N-(2,2,2-trifluoroethyl)butanamide] against JAK3 kinase activity and inhibition of JAK3-mediated signaling in vitro. hese results demonstrate that VX-509 potently inhibits JAK3 in enzyme assays (Ki = 2.5 nM + 0.7 nM) and cellular assays dependent on JAK3 activity (IC50 range, 50-170 nM), with limited or no measurable potency against other JAK isotypes or non-JAK kinases. These findings demonstrate that VX-509 is a selective and potent inhibitor of JAK3 in vitro. Reference: J Pharmacol Exp Ther. 2015 May;353(2):405-14. https://pubmed.ncbi.nlm.nih.gov/25762693/

In vivo activity:

VX-509 also showed activity in two animal models of aberrant immune function. VX-509 treatment resulted in dose-dependent reduction in ankle swelling and paw weight and improved paw histopathology scores in the rat collagen-induced arthritis model. In a mouse model of oxazolone-induced delayed-type hypersensitivity, VX-509 reduced the T cell-mediated inflammatory response in skin. The data support evaluation of VX-509 for treatment of patients with autoimmune and inflammatory diseases such as rheumatoid arthritis. Reference: J Pharmacol Exp Ther. 2015 May;353(2):405-14. https://pubmed.ncbi.nlm.nih.gov/25762693/

	Solvent	mg/mL	mM
Solubility
	DMSO	64.0	163.11

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 392.38 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

Formulation protocol:

1. Mahajan S, Hogan JK, Shlyakhter D, Oh L, Salituro FG, Farmer L, Hoock TC. VX-509 (decernotinib) is a potent and selective janus kinase 3 inhibitor that attenuates inflammation in animal models of autoimmune disease. J Pharmacol Exp Ther. 2015 May;353(2):405-14. doi: 10.1124/jpet.114.221176. Epub 2015 Mar 11. PMID: 25762693. 2. DeMars KM, Pacheco SC, Yang C, Siwarski DM, Candelario-Jalil E. Selective Inhibition of Janus Kinase 3 Has No Impact on Infarct Size or Neurobehavioral Outcomes in Permanent Ischemic Stroke in Mice. Front Neurol. 2017 Jul 25;8:363. doi: 10.3389/fneur.2017.00363. PMID: 28790974; PMCID: PMC5524742.

In vitro protocol:

In vivo protocol:

1: Kyttaris VC. Kinase inhibitors: a new class of antirheumatic drugs. Drug Des Devel Ther. 2012;6:245-50. doi: 10.2147/DDDT.S25426. Epub 2012 Sep 21. Review. PubMed PMID: 23055694; PubMed Central PMCID: PMC3457674.