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· · COA & SDS available for every product · Same-day shipping on in-stock items Ibrexafungerp , 1,3-beta-glucan synthase inhibitor, CAS No.1207753-03-4, 1,3-beta-glucan synthase inhibitor
Synonyms
Ibrexafungerp | AKOS032946516 | ibrexafungerpum | Ibrexafungerp [USAN] | (1S,4aR,6aS,7R,8R,10aR,10bR,12aR,14R,15R)-15-[[(2R)-2-amino-2,3,3-trimethylbutyl]oxy]-8-[(1R)-1,2-dimethylpropyl]-14-[5-(4-pyridinyl)-1H-1,2,4-triazol-1-yl]-1,6,6a,7,8,9,10,10a,10b,1
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Ibrexafungerp | AKOS032946516 | ibrexafungerpum | Ibrexafungerp [USAN] | (1S, 4aR, 6aS, 7R, 8R, 10aR, 10bR, 12aR, 14R, 15R)-15-[[(2R)-2-amino-2, 3, 3-trimethylbutyl]oxy]-8-[(1R)-1, 2-dimethylpropyl]-14-[5-(4-pyridinyl)-1H-1, 2, 4-triazol-1-yl]-1, 6, 6a, 7, 8, 9, 10, 10a, 10b, 1
Mechanism of action
1, 3-beta-glucan synthase inhibitor
Product Properties Names and Identifiers Canonical Smiles CC(C)C(C)C1(CCC2(C3CCC4C5(COCC4(C3=CCC2(C1C(=O)O)C)CC(C5OCC(C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C IUPAC Name (1R,5S,6R,7R,10R,11R,14R,15S,20R,21R)-21-[(2R)-2-amino-2,3,3-trimethylbutoxy]-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-20-(5-pyridin-4-yl-1,2,4-triazol-1-yl)-17-oxapentacyclo[13.3.3.01,14.02,11.05,10]henicos-2-ene-6-carboxylic acid InChIKey BODYFEUFKHPRCK-ZCZMVWJSSA-N INCHI 1S/C44H67N5O4/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,5 Isomeric SMILES C[C@H](C(C)C)[C@]1(CC[C@@]2([C@H]3CC[C@H]4[C@]5(COC[C@]4(C3=CC[C@]2([C@@H]1C(=O)O)C)C[C@H]([C@@H]5OC[C@@](C)(C(C)(C)C)N)N6C(=NC=N6)C7=CC=NC=C7)C)C)C PubChem CID 46871657 Molecular Weight 730
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Lipids and lipid-like molecules Class Steroids and steroid derivatives Subclass Hydroxysteroids Intermediate Tree Nodes Not available Direct Parent Hydroxysteroids Alternative Parents Sesquiterpenoids Naphthopyrans Pyridyl-1,2,4-triazoles Naphthalenes Pyrans Oxanes Triazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 15-hydroxysteroid - Hydroxysteroid - Sesquiterpenoid - Naphthopyran - Pyridyltriazole - Pyridyl-1,2,4-triazole - Naphthalene - Oxane - Pyran - Pyridine - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Amino acid - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as hydroxysteroids. These are compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 730.000 g/mol XLogP3 5.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8 Rotatable Bond Count 9 Exact Mass 729.519 Da Monoisotopic Mass 729.519 Da Topological Polar Surface Area 125.000 Ų Heavy Atom Count 53 Formal Charge 0 Complexity 1430.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 12 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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