Enpatoran free base

• CAS: 2101938-42-3
• Catalog Number: ACM2101938423
• Category: Inhibitors
• Molecular Weight: 320.32
• Molecular Formula: C16H15F3N4
• Description: Enpatoran, also known as M5049, is a novel selective Toll-Like Receptor 7/8 Inhibitor for Treatment of Autoimmunity. M5049 was found to be potent in vivo as TLR7/8 inhibition efficaciously treated disease in several murine lupus models and, interestingly, was efficacious in a disease context in which TLR7/8 activity has not previously been considered a primary disease driver. Furthermore, M5049 had greater potency in disease models than expected based on its in vitro potency and pharmacokinetic/pharmacodynamic properties.
• Synonyms: Enpatoran; M 5049; M5049; M-5049
• IUPAC Name: 5-((3R,5S)-3-amino-5-(trifluoromethyl)piperidin-1-yl)quinoline-8-carbonitrile
• SMILES: N[C@]1([H])C[C@]([H])(C(F)(F)F)CN(C2=CC=C(C#N)C3=C2C=CC=N3)C1
• InChI: InChI=1S/C16H15F3N4/c17-16(18,19)11-6-12(21)9-23(8-11)14-4-3-10(7-20)15-13(14)2-1-5-22-15/h1-5,11-12H,6,8-9,21H2/t11?,12-/m1/s1
• InChI Key: BJXYHBKEQFQVES-PIJUOVFKSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >3 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 2101945-93-9 (HCl); 2409589-21-3 (2HCl); 2101938-42-3 (free base); 2409588-96-9 (TFA)
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 60.00; H, 4.72; F, 17.79; N, 17.49
• Exact Mass: 320.1249
• HS Tariff Code: 2934.99.9001
• Shipping: 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.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).