Caspofungin Impurity A

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MedKoo CAT#: 574611

CAS#: 1202167-57-4

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.

Chemical Structure

Caspofungin Impurity A
CAS# 1202167-57-4

Theoretical Analysis

MedKoo Cat#: 574611
Name: Caspofungin Impurity A
CAS#: 1202167-57-4
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

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales or click below button.
Note: Price will be listed if it is available in the future.

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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 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

Preparing Stock Solutions

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.

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. 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