Ibrexafungerp citrate - ≥98% , 1,3-beta-glucan synthase inhibitor, CAS No.1965291-08-0, 1,3-beta-glucan synthase inhibitor

CAS: 1965291-08-0 Cat. No.: I671354 Peso molecular: 922.2 PubChem CID: 137552087

GRADE & PURITY ≥98%

Synonyms

Ibrexafungerp citrate | GLXC-26020 | Ibrexafungerp citrate [USAN] | brexafemme | D11545 | 4H-1,4A-PROPANO-2H-PHENANTHRO(1,2-C)PYRAN-7-CARBOXYLIC ACID, 15-((2R)-2-AMINO-2,3,3-TRIMETHYLBUTOXY)-8-((1R)-1,2-DIMETHYLPROPYL)-1,6,6A,7,8,9,10,10A,10B,11,12,12A-DO

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Ibrexafungerp citrate | GLXC-26020 | Ibrexafungerp citrate [USAN] | brexafemme | D11545 | 4H-1, 4A-PROPANO-2H-PHENANTHRO(1, 2-C)PYRAN-7-CARBOXYLIC ACID, 15-((2R)-2-AMINO-2, 3, 3-TRIMETHYLBUTOXY)-8-((1R)-1, 2-DIMETHYLPROPYL)-1, 6, 6A, 7, 8, 9, 10, 10A, 10B, 11, 12, 12A-DO

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

1, 3-beta-glucan synthase inhibitor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• 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;2-hydroxypropa
• InChIKey: WKIRTJACGBEXBZ-FQGZCCSZSA-N
• INCHI: 1S/C44H67N5O4.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-16,20-21,26-28,30,32-3
• Isómeros 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.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• PubChem CID: 137552087
• Peso molecular: 922.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Steroids and steroid derivatives
      • Subclass Hydroxysteroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Steroids and steroid derivatives
• Subclass: Hydroxysteroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxysteroids
• Alternative Parents: Sesquiterpenoids Naphthopyrans Pyridyl-1,2,4-triazoles Naphthalenes Tricarboxylic acids and derivatives Pyrans Oxanes Alpha hydroxy acids and derivatives Triazoles Tertiary alcohols Heteroaromatic compounds Amino acids Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Hydroxysteroid - 15-hydroxysteroid - Sesquiterpenoid - Naphthopyran - Pyridyl-1,2,4-triazole - Pyridyltriazole - Naphthalene - Tricarboxylic acid or derivatives - Pyridine - Pyran - Oxane - Hydroxy acid - Alpha-hydroxy acid - Heteroaromatic compound - 1,2,4-triazole - Triazole - Tertiary alcohol - Azole - Amino acid - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alcohol - Aromatic heteropolycyclic compound
• Descripción: 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.

DOI: 10.1186/s13321-016-0174-y