Name: Albaconazole , Lanosterol 14-alpha demethylase inhibitor, CAS No.187949-02-6, Lanosterol 14-alpha demethylase inhibitor
SKU: A355384
Availability: InStock

Albaconazole , Lanosterol 14-alpha demethylase inhibitor, CAS No.187949-02-6, Lanosterol 14-alpha demethylase inhibitor

CAS: 187949-02-6 Cat. No.: A355384 Fórmula: C₂₀H₁₆ClF₂N₅O₂ Peso molecular: 431.82 Número CE: 642-950-4

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Albaconazole - CAS No(187949-02-6) by Aladdin Scientific

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Disponível para encomenda

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral Specifications Propriedades do produto Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

Albaconazole is a triazole antifungal agent used as a neuroprotectant. The compound has shown very potent activity against species of Candida, Cryptococcus and Aspergillus.

Specifications

Sinónimos

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Mecanismo de ação

Lanosterol 14-alpha demethylase inhibitor

Propriedades do produto

ALogP	2.5

Nomes e identificadores

Sorrisos canónicos	CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl
IUPAC Name	7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
InChIKey	UHIXWHUVLCAJQL-MPBGBICISA-N
INCHI	1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1
SMILES isoméricas	C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl
Peso molecular	431.82
Reaxy-Rn	11220058
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11220058&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 Organoheterocyclic compounds
  - Classe Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Phenylpropanes Pyrimidones Fluorobenzenes Aryl chlorides Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Phenylpropane - Fluorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl fluoride - Aryl halide - Aryl chloride - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,4-triazole - Tertiary alcohol - Azole - Lactam - Azacycle - Organopnictogen compound - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Alcohol - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors	Not available
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

Estrutura 3D

Alvos associados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Alvos associados (não humanos)

Nannizzia gypsea (2039 Activities)

Solubilidade	Chloroform
Ponto de fusão (°C)	121-122° C
Peso molecular	431.800 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	431.096 Da
Monoisotopic Mass	431.096 Da
Topological Polar Surface Area	83.600 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	673.000
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