ML-339

• CAS: 2579689-83-9
• Catalog Number: ACM2579689839
• Category: Antagonists
• Molecular Weight: 502.01
• Molecular Formula: C26H32ClN3O5
• Description: ML-339 is a potent and selective hCXCR6 antagonist (IC50 = 140 nM).
• Synonyms: ML-339; ML 339; ML339
• IUPAC Name: N-((1R,3s,5S)-9-(2-((2-chlorophenyl)amino)-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl)-3,4,5-trimethoxybenzamide
• Canonical SMILES: O=C(N[C@@H]1C[C@H](N2CC(NC3=CC=CC=C3Cl)=O)CCC[C@H]2C1)C4=CC(OC)=C(OC)C(OC)=C4
• InChI: InChI=1S/C26H32ClN3O5/c1-33-22-11-16(12-23(34-2)25(22)35-3)26(32)28-17-13-18-7-6-8-19(14-17)30(18)15-24(31)29-21-10-5-4-9-20(21)27/h4-5,9-12,17-19H,6-8,13-15H2,1-3H3,(H,28,32)(H,29,31)/t17-,18-,19+
• InChI Key: SSPYAPRDKNCABY-LDLYASANSA-N
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >2 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: 2579689-83-9 (free base); 2080300-49-6 (deleted)
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 62.21; H, 6.43; Cl, 7.06; N, 8.37; O, 15.94
• Exact Mass: 501.203
• 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).