Deucravacitinib HCl | CAS# 1609392-28-0 (HCl) | Allosteric Inhibitor of TYK2

MedKoo Cat#: 413594 | Name: Deucravacitinib HCl

Description:

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

Deucravacitinib HCl is a Highly Potent and Selective Allosteric Inhibitor of TYK2. BMS-986165 Blocks Il-12, IL-23 and type I Interferon Signaling and Provides for Robust Efficacy in Preclinical Models of Inflammatory Bowel Disease. MS-986165 potently binds to the Tyk2 pseudokinase domain (Ki = 0.02 nM), and is highly selective against a panel of 265 kinases and pseudokinases. The compound potently inhibited IL-23-, IL-12-, and Type I interferon-driven cellular signaling and transcriptional responses (IC50 range 2-14 nM).

Chemical Structure

Deucravacitinib HCl

CAS#1609392-28-0 (HCl)

Theoretical Analysis

MedKoo Cat#: 413594

Name: Deucravacitinib HCl

CAS#: 1609392-28-0 (HCl)

Chemical Formula: C20H20D3ClN8O3

Exact Mass: 0.0000

Molecular Weight: 461.93

Elemental Analysis: C, 52.00; H, 5.67; Cl, 7.67; N, 24.26; O, 10.39

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 #

1609392-28-0 (HCl) 1609392-27-9 (free base)

Synonym

Deucravacitinib HCl; BMS986165 hydrochloride; BMS 986165 hydrochloride; BMS-986165 hydrochloride; Deucravacitinib hydrochloride

IUPAC/Chemical Name

3-Pyridazinecarboxamide, 6-((cyclopropylcarbonyl)amino)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-(methyl-d3)-, hydrochloride (1:1)

InChi Key

LILQGPVDQZORJG-NIIDSAIPSA-N

InChi Code

InChI=1S/C20H22N8O3.ClH/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18;/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29);1H/i1D3;

SMILES Code

[2H]C([2H])(NC(c1c(Nc2c(OC)c(c3nn(C)cn3)ccc2)cc(NC(C4CC4)=O)nn1)=O)[2H].Cl

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 461.93 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: Papp K, Gordon K, Thaçi D, Morita A, Gooderham M, Foley P, Girgis IG, Kundu S, Banerjee S. Phase 2 Trial of Selective Tyrosine Kinase 2 Inhibition in Psoriasis. N Engl J Med. 2018 Oct 4;379(14):1313-1321. doi: 10.1056/NEJMoa1806382. Epub 2018 Sep 11. PubMed PMID: 30205746. 2. Gillooly K, Zhang Y, Yang X, Zupa-Fernandez A, Cheng L, Strnad J, Cunningham M, Heimrich E, Zhou X, Chen J, Chaudhry C, Li S, McIntyre K, Carman J, Moslin R, Wrobleski S, Weinstein D, Burke J. BMS-986165 Is a Highly Potent and Selective Allosteric Inhibitor of Tyk2, Blocks IL-12, IL-23 and Type I Interferon Signaling and Provides for Robust Efficacy in Preclinical Models of Systemic Lupus Erythematosus and Inflammatory Bowel Disease [abstract]. Arthritis Rheumatol. 2016; 68 (suppl 10). https://acrabstracts.org/abstract/bms-986165-is-a-highly-potent-and-selective-allosteric-inhibitor-of-tyk2-blocks-il-12-il-23-and-type-i-interferon-signaling-and-provides-for-robust-efficacy-in-preclinical-models-of-systemic-lupus-e/. Accessed November 7, 2018.