For research use only. Not for therapeutic Use.
Caspofungin Acetate（Cat No.:I013966）is an antifungal agent used primarily in the treatment of invasive fungal infections, including candidiasis and aspergillosis. It works by inhibiting the synthesis of glucan, a key component of fungal cell walls, thereby impairing cell integrity and leading to cell death. As a member of the echinocandin class of drugs, Caspofungin Acetate is administered intravenously and is effective against resistant fungal strains. It is commonly used in immunocompromised patients, including those with hematologic malignancies or organ transplants, where fungal infections pose significant risks.
| Catalog Number | I013966 |
| CAS Number | 179463-17-3 |
| Molecular Formula | C₅₆H₉₆N₁₀O₁₉ |
| Purity | 99% |
| Target | Fungal |
| Solubility | H2O: ≥ 100 mg/mL |
| Appearance | White Powder |
| Analysis method | HPLC |
| IUPAC Name | acetic acid;N-[(3S,6S,9S,11R,15S,18S,20R,21S,24S,25S)-21-(2-aminoethylamino)-3-[(1R)-3-amino-1-hydroxypropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide |
| InChI | 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 |
| InChIKey | OGUJBRYAAJYXQP-LLXMLGLCSA-N |
| SMILES | CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CCN)O)O)NCCN)O.CC(=O)O.CC(=O)O |
| Reference | [1]. Mojumder DK, et al. Evaluating retinal toxicity of intravitreal caspofungin in the mouse eye. Invest Ophthalmol Vis Sci. 2010 Nov;51(11):5796-803.<br /> |
