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CAS Number: 166663-25-8
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CAS Number
166663-25-8
PubChem CID
166548
Molecular Formula
C58H73N7O17
Molecular Weight
1140.2 g/mol
Exact Mass
1139.506294
InChIKey
JHVAMHSQVVQIOT-MFAJLEFUSA-N
IUPAC Name
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[4-(4-pentoxyphenyl)phenyl]benzamide
SMILES String
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O
Water Solubility
0.0564 g/L
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Structural features
Anidulafungin (CAS 166663-25-8) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C58H73N7O17 and molecular weight 1140. 20 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.
ChEMBL reports experimental activity evidence for: Cytochrome P450 2C8 (Homo sapiens) — 3 assays; Glucan synthase (Candida albicans) — 15 assays; 1,3-beta-glucan synthase (Candida glabrata) — 7 assays; 1,3-beta-D-glucan synthase subunit 1 (Candida tropicalis) — 5 assays; 1,3-beta-glucan synthase component FKS1 (Candida glabrata) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cytochrome P450 2C8
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.92
Experimental evidence source: ChEMBL
Glucan synthase
Candida albicans · SINGLE PROTEIN · 15 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
1,3-beta-glucan synthase
Candida glabrata · SINGLE PROTEIN · 7 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
1,3-beta-D-glucan synthase subunit 1
Candida tropicalis · SINGLE PROTEIN · 5 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
1,3-beta-glucan synthase component FKS1
Candida glabrata · SINGLE PROTEIN · 4 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
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Preliminary Safety Reference
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Safety Reference / SDS RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Anidulafungin is identified by CAS 166663-25-8, with molecular formula C58H73N7O17, molecular weight 1140.2, InChIKey JHVAMHSQVVQIOT-MFAJLEFUSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 2C8, Glucan synthase, 1,3-beta-glucan synthase, 1,3-beta-D-glucan synthase subunit 1, 1,3-beta-glucan synthase component FKS1. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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