WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130536
CAS#: TYK2-IN-47
Description: TYK2-IN-47 is a novel, highly selective allosteric inhibitor of tyrosine kinase 2 (TYK2).
Hodoodo Cat#: H130536
Name: TYK2-IN-47
CAS#: TYK2-IN-47
Chemical Formula: C17H16D3N5O4S
Exact Mass: 392.13
Molecular Weight: 392.450
Elemental Analysis: C, 52.03; H, 5.65; N, 17.85; O, 16.31; S, 8.17
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Synonym: TYK2 In 47, TYK2 In-47, TYK2-In 47, TYK2 Inhibitor 47, TYK2 Inhibitor-47, TYK2-Inhibitor 47
IUPAC/Chemical Name: 6-(Cyclopropanecarboxamido)-N-(methyl-d3)-4-((2-(methylsulfonyl)phenyl)amino)pyridazine-3-carboxamide
InChi Key: NAQXRHXESYEFJR-FIBGUPNXSA-N
InChi Code: InChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)/i1D3
SMILES Code: O=C(C1=NN=C(NC(C2CC2)=O)C=C1NC3=CC=CC=C3S(=O)(C)=O)NC([2H])([2H])[2H]
Appearance: To be determined
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 392.45 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: | |
In vitro protocol: | |
In vivo protocol: |
1. Moslin R, Zhang Y, Wrobleski ST, Lin S, Mertzman M, Spergel S, Tokarski JS, Strnad J, Gillooly K, McIntyre KW, Zupa-Fernandez A, Cheng L, Sun H, Chaudhry C, Huang C, D'Arienzo C, Heimrich E, Yang X, Muckelbauer JK, Chang C, Tredup J, Mulligan D, Xie D, Aranibar N, Chiney M, Burke JR, Lombardo L, Carter PH, Weinstein DS. Identification of N-Methyl Nicotinamide and N-Methyl Pyridazine-3-Carboxamide Pseudokinase Domain Ligands as Highly Selective Allosteric Inhibitors of Tyrosine Kinase 2 (TYK2). J Med Chem. 2019 Oct 24;62(20):8953-8972. doi: 10.1021/acs.jmedchem.9b00443. Epub 2019 Jul 17. PMID: 31314518.