WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 314268
CAS#: 179463-17-3 (acetate)
Description: Caspofungin acetate is a lipopeptide antifungal drug. It is a member of a new class of antifungals termed the echinocandins. It works by inhibiting the enzyme (1→3)-β-D-glucan synthase and thereby disturbing the integrity of the fungal cell wall. Caspofungin acetate for injection was originally approved by FDA in USA, and the EMEA in Europe, in 2001.
MedKoo Cat#: 314268
Name: Caspofungin acetate
CAS#: 179463-17-3 (acetate)
Chemical Formula: C56H96N10O19
Exact Mass:
Molecular Weight: 1213.42
Elemental Analysis: C, 55.43; H, 7.97; N, 11.54; O, 25.05
Related CAS #: 162808-62-0 (free base) 179463-17-3 (acetate)
Synonym: L743872; L-743872; L 743872; MK 0991; MK-0991; MK0991; Caspofungin acetate; brand name: Cancidas.
IUPAC/Chemical Name: (10S,12R)-N-((2R,6S,9S,11S,12S,14aS,15S,20R,23S,25aS)-20-((R)-3-amino-1-hydroxypropyl)-12-((2-aminoethyl)amino)-23-((1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,15-trihydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-10,12-dimethyltetradecanamide diacetate
InChi Key: OGUJBRYAAJYXQP-AVOYSFSSSA-N
InChi Code: InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;2*1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);2*1H3,(H,3,4)/t28-,29+,30-,33-,34+,35+,36-,37+,38+,40+,41-,42+,43+,44+,45+,46+;;/m1../s1
SMILES Code: CC[C@@H](C)C[C@@H](C)CCCCCCCCC(N[C@@H]1C(N[C@@H]([C@H](O)C)C(N2[C@](C[C@@H](O)C2)([H])C(N[C@@H]([C@H](O)[C@@H](O)C3=CC=C(O)C=C3)C(N[C@H]([C@H](O)CCN)C(N4[C@]([C@@H](O)CC4)([H])C(N[C@H](NCCN)[C@@H](O)C1)=O)=O)=O)=O)=O)=O)=O.CC(O)=O.CC(O)=O
Appearance: Solid powder
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: Soluble in DMSO.
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
The following data is based on the product molecular weight 1213.42 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: Chen L, Yue Q, Li Y, Niu X, Xiang M, Wang W, Bills GF, Liu X, An Z. Engineering of Glarea lozoyensis for exclusive production of the pneumocandin B0 precursor of the antifungal drug caspofungin acetate. Appl Environ Microbiol. 2015 Mar;81(5):1550-8. doi: 10.1128/AEM.03256-14. Epub 2014 Dec 19. PubMed PMID: 25527531; PubMed Central PMCID: PMC4325176.
2: Bai QX, Huan Y, Wang JH, Yang LJ, Dong HJ. Successful treatment of liver aspergilloma by caspofungin acetate first-line therapy in a non-immunocompromised patient. Int J Mol Sci. 2012;13(9):11063-70. doi: 10.3390/ijms130911063. Epub 2012 Sep 6. PubMed PMID: 23109838; PubMed Central PMCID: PMC3472730.
3: Christopeit M, Eikam M, Behre G. Comedication of caspofungin acetate and cyclosporine A after allogeneic haematopoietic stem cell transplantation leads to negligible hepatotoxicity. Mycoses. 2008;51 Suppl 1:19-24. doi: 10.1111/j.1439-0507.2008.01524.x. PubMed PMID: 18471157.
4: Chan P, Heatherly K Ms, Kupiec TC Phd, Trissel LA Bs Rph Fashp. Compatibility of Caspofungin Acetate Injection with Other Drugs Simulated Y-Site Coadministration. Int J Pharm Compd. 2008 May-June;12(3):276-278. PubMed PMID: 23969719.
5: Condie CK, Tyler LS, Barker B, Canann DM. Visual compatibility of caspofungin acetate with commonly used drugs during simulated Y-site delivery. Am J Health Syst Pharm. 2008 Mar 1;65(5):454-7. doi: 10.2146/ajhp070322. Erratum in: Am J Health Syst Pharm. 2008 Sep 1;65(17):1597. PubMed PMID: 18281738.
6: Leonard WR Jr, Belyk KM, Conlon DA, Bender DR, DiMichele LM, Liu J, Hughes DL. Synthesis of the antifungal beta-1,3-glucan synthase inhibitor CANCIDAS (caspofungin acetate) from pneumocandin B0. J Org Chem. 2007 Mar 30;72(7):2335-43. Epub 2007 Mar 8. PubMed PMID: 17343416.
7: Scotter JM, Chambers ST. Comparison of galactomannan detection, PCR-enzyme-linked immunosorbent assay, and real-time PCR for diagnosis of invasive aspergillosis in a neutropenic rat model and effect of caspofungin acetate. Clin Diagn Lab Immunol. 2005 Nov;12(11):1322-7. PubMed PMID: 16275948; PubMed Central PMCID: PMC1287761.
8: Spellberg B, Fu Y, Edwards JE Jr, Ibrahim AS. Combination therapy with amphotericin B lipid complex and caspofungin acetate of disseminated zygomycosis in diabetic ketoacidotic mice. Antimicrob Agents Chemother. 2005 Feb;49(2):830-2. PubMed PMID: 15673781; PubMed Central PMCID: PMC547325.
9: Grau S, Mateu-De Antonio J. Comment: caspofungin acetate for treatment of invasive fungal infections. Ann Pharmacother. 2003 Dec;37(12):1919. PubMed PMID: 14632549.
10: McGee WT, Tereso GJ. Successful treatment of Candida krusei infection with caspofungin acetate: a new antifungal agent. Crit Care Med. 2003 May;31(5):1577-8. PubMed PMID: 12771636.
