Abafungin
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MedKoo CAT#: 524103

CAS#: 129639-79-8

Description: Abafungin is a broad-spectrum antifungal agent.


Chemical Structure

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Abafungin
CAS# 129639-79-8

Theoretical Analysis

MedKoo Cat#: 524103
Name: Abafungin
CAS#: 129639-79-8
Chemical Formula: C21H22N4OS
Exact Mass: 378.15143
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
50.0mg USD 330.0 2 Weeks
100.0mg USD 550.0 2 Weeks
250.0mg USD 950.0 2 Weeks
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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

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

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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. Review. PubMed PMID: 25455640.

2: Tomillero A, Moral MA. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2010 Jan-Feb;32(1):47-86. PubMed PMID: 20383346.

3: 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. PubMed PMID: 18587237; PubMed Central PMCID: PMC2818358.