WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 574611
Description: Caspofungin Impurity A is a metabolite of Caspofungin -- an echinocandin that inhibits the synthesis of β (1,3)-D-glucan which is an integral component of the fungal cell wall. Caspofungin is used as antifungal drug.
MedKoo Cat#: 574611
Name: Caspofungin Impurity A
Chemical Formula: C51H88N10O16
Exact Mass: 1096.638
Molecular Weight: 1097.32
Elemental Analysis: C, 55.82; H, 8.08; N, 12.76; O, 23.33
This product is not in stock, which may be available by custom synthesis.
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Synonym: Caspofungin Impurity A
IUPAC/Chemical Name: (3S)-(4R,5S)-5-[(2-aminoethyl)amino]-N2-[(10R,12S)-10,12-dimethyl-1-oxotetradecyl]-4-hydroxy-L-ornithyl-L-seryl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-(3R)-3-hydroxy-L-ornithyl-3-hydroxy-L-proline
InChi Key: JFFFHUYIRPTENF-CUXQOAAKSA-N
InChi Code: InChI=1S/C51H88N10O16/c1-4-28(2)23-29(3)11-9-7-5-6-8-10-12-39(68)56-33(25-38(67)45(54)55-21-20-53)46(71)57-34(27-62)49(74)61-26-32(64)24-35(61)47(72)59-41(44(70)43(69)30-13-15-31(63)16-14-30)48(73)58-40(36(65)17-19-52)50(75)60-22-18-37(66)42(60)51(76)77/h13-16,28-29,32-38,40-45,55,62-67,69-70H,4-12,17-27,52-54H2,1-3H3,(H,56,68)(H,57,71)(H,58,73)(H,59,72)(H,76,77)/t28-,29+,32?,33-,34-,35-,36?,37?,38-,40-,41-,42-,43?,44-,45-/m0/s1
SMILES Code: O=C(O)[C@H]1N(C([C@H](C(O)CCN)NC([C@H]([C@H](O)C(O)C2=CC=C(O)C=C2)NC([C@H]3N(C([C@H](CO)NC([C@H](C[C@H](O)[C@H](NCCN)N)NC(CCCCCCCC[C@@H](C)C[C@@H](C)CC)=O)=O)=O)CC(O)C3)=O)=O)=O)CCC1O
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: >3 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 1097.32 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. Fisher BT, Zaoutis T, Dvorak CC, et al. Effect of Caspofungin vs Fluconazole Prophylaxis on Invasive Fungal Disease Among Children and Young Adults With Acute Myeloid Leukemia: A Randomized Clinical Trial. JAMA. 2019;322(17):1673-1681. doi:10.1001/jama.2019.15702