Synonym
Abafungin; Bay w 6341; UNII-11DI31LWXF;
IUPAC/Chemical Name
Hexahydro-2-((4-(o-(2,4-xylyloxy)phenyl)-2-thiazolyl)imino)pyrimidine
InChi Key
TYBHXIFFPVFXQW-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
SMILES Code
CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C
Purity
>95% (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
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
378.49
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 |
1: Rouf A, Tanyeli C. Bioactive thiazole and benzothiazole derivatives. Eur J Med Chem. 2015 Jun 5;97:911-27. doi: 10.1016/j.ejmech.2014.10.058. Epub 2014 Oct 22. PMID: 25455640.
2: Borelli C, Schaller M, Niewerth M, Nocker K, Baasner B, Berg D, Tiemann R, Tietjen K, Fugmann B, Lang-Fugmann S, Korting HC. Modes of action of the new arylguanidine abafungin beyond interference with ergosterol biosynthesis and in vitro activity against medically important fungi. Chemotherapy. 2008;54(4):245-59. doi: 10.1159/000142334. Epub 2008 Jun 30. PMID: 18587237; PMCID: PMC2818358.
3: Kumawat MK. Thiazole Containing Heterocycles with Antimalarial Activity. Curr Drug Discov Technol. 2018;15(3):196-200. doi: 10.2174/1570163814666170725114159. PMID: 28745209.
4: Tomillero A, Moral MA. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2010 Jan-Feb;32(1):47-86. PMID: 20383346.
5: Chhabria MT, Patel S, Modi P, Brahmkshatriya PS. Thiazole: A Review on Chemistry, Synthesis and Therapeutic Importance of its Derivatives. Curr Top Med Chem. 2016;16(26):2841-2862. doi: 10.2174/1568026616666160506130731. PMID: 27150376.
6: Mabkhot YN, Alharbi MM, Al-Showiman SS, Ghabbour HA, Kheder NA, Soliman SM, Frey W. Stereoselective synthesis, X-ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents. Chem Cent J. 2018 May 11;12(1):56. doi: 10.1186/s13065-018-0420-7. PMID: 29748782; PMCID: PMC5945573.