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 分子式: C₂₀H₁₆ClF₂N₅O₂ 分子量: 431.82 EC番号: 642-950-4

イメージギャラリーの最後に移動する

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

イメージギャラリーの最初に移動する

注文可能

Synonyms

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要 Specifications 製品の性質名前と識別子 Documentation Advanced Data Taxonomic Classification 3 D構造関連ターゲット（人間）関連ターゲット（非人間）作用メカニズム証明書（CoA、COO、BSE/TSEと分析図）化学的性質と物理的性質ソリューション計算機レビュー

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

概要

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

同義語

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

作用メカニズム

Lanosterol 14-alpha demethylase inhibitor

製品の性質

ALogP	2.5

名前と識別子

カノニカル・スマイル	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
異性体SMILES	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
分子量	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
  - 分類 Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
分類	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
説明	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

3 D構造

関連ターゲット（非人間）

Nannizzia gypsea (2039 Activities)

溶解度	Chloroform
融点（°C）	121-122° C
分子量	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