WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 556185
CAS#: 588674-64-0
Description: VUN74640, also known as CCR6 antagonist 1, is a CCR6 antagonist. VUN74640 can be used in the research of autoimmune-mediated inflammatory diseases, such as inflammatory bowel diseases (IBDs). This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 556185
Name: VUN74640
CAS#: 588674-64-0
Chemical Formula: C17H12F3NO2
Exact Mass: 319.082
Molecular Weight: 319.2832
Elemental Analysis: C, 63.95; H, 3.79; F, 17.85; N, 4.39; O, 10.02
Synonym: CCR6 antagonist 1; VUN74640; VUN-74640; VUN 74640;
IUPAC/Chemical Name: 3-methyl-N-(4-(trifluoromethyl)phenyl)benzofuran-2-carboxamide
InChi Key: VHAWUBMHTMNOJC-UHFFFAOYSA-N
InChi Code: InChI=1S/C17H12F3NO2/c1-10-13-4-2-3-5-14(13)23-15(10)16(22)21-12-8-6-11(7-9-12)17(18,19)20/h2-9H,1H3,(H,21,22)
SMILES Code: O=C(C1=C(C)C2=CC=CC=C2O1)NC3=CC=C(C(F)(F)F)C=C3
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
The following data is based on the product molecular weight 319.2832 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 |
Maria Grazia Martina, et al. Discovery of small-molecules targeting the CCL20/CCR6 axis as first-in-class inhibitors for inflammatory bowel diseases. Eur J Med Chem. 2022 Aug 29;243:114703.
