Isavuconazole - ≥98% , CAS No.241479-67-4

CAS: 241479-67-4 Cat. No.: I337027 Peso molecular: 437.47 Número EC: 889-355-8

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Isavuconazole - ≥98% CAS No(241479-67-4) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY ≥98%

Synonyms

AS-30128 | CHEBI:85979 | DTXCID6032069 | DTXSID2058251 | AKOS027250772 | EN300-7401534 | EX-A1785 | Isavuconazole (INN) | RO 0094815 | AC-31076 | NCIOpen2_001849 | N-Benylpiperazine | MFCD06407745 | s3722 | A899541 | D10750 | J02AC05 | ISAVUCONAZOLE [WHO-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Preguntas frecuentes y artículos Citations of This Product Referencias Calculadoras de soluciones Reseñas

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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Isavuconazole is an extended-spectrum triazole with activity against a wide variety of fungal pathogens. Isavuconazole has shown activity against the dimorphic true pathogenic fungi, such as|Blastomyces dermatitidis|and|Histoplasma capsulatum|, and is also active against uncommon dematiaceous fungi such as|Exophiala spp.|and|Phialophora spp.|as well as against dermatophytic species. Isavuconazole showed broad spectrum antifungal activity against FLC-resistant strains of|Candida spp.|,|Aspergillus spp.|and uncommon opportunistic fungal species.

Specifications

Sinónimos

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Isavuconazole is a triazole antifungal drug. It inhibits fungal sterol biosynthesis by inhibition of cytochrome P450 sterol 14-α-demethylase (CYP51), an enzyme in the sterol biosynthesis pathway that leads from lanosterol to ergosterol. It has been approv

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

Pubchem Sid	504764372
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504764372
Sonrisas canónicas	CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O
IUPAC Name	4-[2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile
InChIKey	DDFOUSQFMYRUQK-RCDICMHDSA-N
INCHI	1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1
Isómeros SMILES	C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=NC=N3)(C4=C(C=CC(=C4)F)F)O
Peso molecular	437.47
Reaxy-Rn	9295730
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9295730&ln=

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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Clase Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Benzonitriles Fluorobenzenes 2,4-disubstituted thiazoles Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpropane - Benzonitrile - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Thiazole - Tertiary alcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors	tertiary alcohol - triazole antifungal drug - conazole antifungal drug - 1,3-thiazole - nitrile - difluorobenzene
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

Estructura 3D

Objetivos asociados (humanos)

CYP2B6 Tchem Cytochrome P450 2B6 (1338 Activities)

Discover Target: CYP2B6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

Discover Target: ABCG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Naganishia albida (59 Activities)

Lot Number	Certificate Type	Fecha	Articulo
J2511444	Certificate of Analysis	Sep 22, 2025	I337027
J2511445	Certificate of Analysis	Sep 22, 2025	I337027
J2511446	Certificate of Analysis	Sep 22, 2025	I337027
I2222734	Certificate of Analysis	Jul 10, 2025	I337027
I2222741	Certificate of Analysis	Jul 10, 2025	I337027
I2222906	Certificate of Analysis	Jul 10, 2025	I337027
A2426072	Certificate of Analysis	Jul 20, 2022	I337027
I2429018	Certificate of Analysis	Jul 20, 2022	I337027

Solubilidad	DMSO: 2 mg/mL, clear
Sensibilidad	air sensitive；heat sensitive
Punto de fusión (°C)	128.0 - 132.0 °C
Peso molecular	437.500 g/mol
XLogP3	3.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	437.112 Da
Monoisotopic Mass	437.112 Da
Topological Polar Surface Area	116.000 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	657.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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