WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130312
CAS#: N/A
Description: YL5084 is an inhibitor of JNK2, displaying higher selectivity over JNK1. YL5084 covalently binds to the Cys116 of JNK2.
Hodoodo Cat#: H130312
Name: YL5084
CAS#: N/A
Chemical Formula: C35H36N8O2
Exact Mass: 600.30
Molecular Weight: 600.730
Elemental Analysis: C, 69.98; H, 6.04; N, 18.65; O, 5.33
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Synonym: YL5084; YL 5084; YL-5084
IUPAC/Chemical Name: (E)-4-(dimethylamino)-N-(4-((3S,4S)-3-methyl-4-((4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl)amino)pyrrolidine-1-carbonyl)phenyl)but-2-enamide
InChi Key: FVONQZQMUHLATI-PIAHHGHBSA-N
InChi Code: InChI=1S/C35H36N8O2/c1-24-22-42(34(45)26-14-16-27(17-15-26)37-31(44)13-9-20-41(2)3)23-29(24)39-35-36-19-18-28(38-35)32-30-12-7-8-21-43(30)40-33(32)25-10-5-4-6-11-25/h4-19,21,24,29H,20,22-23H2,1-3H3,(H,37,44)(H,36,38,39)/b13-9+/t24-,29+/m0/s1
SMILES Code: O=C(NC1=CC=C(C(N2C[C@H](C)[C@H](NC3=NC=CC(C4=C5C=CC=CN5N=C4C6=CC=CC=C6)=N3)C2)=O)C=C1)/C=C/CN(C)C
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 600.73 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. Lu W, Liu Y, Gao Y, Geng Q, Gurbani D, Li L, Ficarro SB, Meyer CJ, Sinha D, You I, Tse J, He Z, Ji W, Che J, Kim AY, Yu T, Wen K, Anderson KC, Marto JA, Westover KD, Zhang T, Gray NS. Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J Med Chem. 2023 Mar 9;66(5):3356-3371. doi: 10.1021/acs.jmedchem.2c01834. Epub 2023 Feb 24. PMID: 36826833.