MedKoo Cat#: 524103 | Name: Abafungin
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Abafungin is a broad-spectrum antifungal agent.

Chemical Structure

Abafungin
Abafungin
CAS#129639-79-8

Theoretical Analysis

MedKoo Cat#: 524103

Name: Abafungin

CAS#: 129639-79-8

Chemical Formula: C21H22N4OS

Exact Mass: 378.1514

Molecular Weight: 378.49

Elemental Analysis: C, 66.64; H, 5.86; N, 14.80; O, 4.23; S, 8.47

Price and Availability

Size Price Availability Quantity
50mg USD 350.00 2 Weeks
100mg USD 550.00 2 Weeks
250mg USD 1,050.00 2 Weeks
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Related CAS #
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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
Appearance
Solid powder
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
More Info
Certificate of Analysis
Safety Data Sheet (SDS)

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.

Recalculate based on batch purity %
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.