Alibendol - ≥98% , CAS No.26750-81-2

CAS: 26750-81-2 Cat. No.: A129315 Summenformel: C₁₃H₁₇NO₄ Molekulargewicht: 251.28

GRADE & PURITY ≥98%

Synonyms

ALIBENDOL [WHO-DD] | Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamid | SW219612-1 | AB01566848_01 | Tox21_112247_1 | H-3774 | AKOS015894906 | cebera | CHEBI:135023 | HMS3884I16 | Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamid [Fre

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

ALIBENDOL [WHO-DD] | Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamid | SW219612-1 | AB01566848_01 | Tox21_112247_1 | H-3774 | AKOS015894906 | cebera | CHEBI:135023 | HMS3884I16 | Hydroxy-2 methoxy-3 allyl-5 N-(beta-hydroxy ethyl)benzamid [Fre

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488184678
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184678
• Kanonisches Lächeln: COC1=CC(=CC(=C1O)C(=O)NCCO)CC=C
• IUPAC Name: 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide
• InChIKey: UMJHTFHIQDEGKB-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO4/c1-3-4-9-7-10(13(17)14-5-6-15)12(16)11(8-9)18-2/h3,7-8,15-16H,1,4-6H2,2H3,(H,14,17)
• Isomere SMILES: COC1=CC(=CC(=C1O)C(=O)NCCO)CC=C
• RTECS: CU8730000
• Molekulargewicht: 251.28
• Reaxy-Rn: 2735959
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2735959&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Hydroxybenzoic acid derivatives
          • Ebene6 Salicylic acid and derivatives
            • Ebene7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: Methoxyphenols Benzamides Phenoxy compounds N-acylethanolamines Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Vinylogous acids Secondary carboxylic acid amides Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Salicylamide - Benzamide - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - N-acylethanolamine - Phenol ether - Alkyl aryl ether - Phenol - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Alkanolamine - Organooxygen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• 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

Zugehörige Ziele (menschlich)

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO 50 mg/mL Water <1 mg/mL Ethanol 50 mg/mL
• Schmelzpunkt (°C): 100 °C
• Molekulargewicht: 251.280 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 251.116 Da
• Monoisotopic Mass: 251.116 Da
• Topological Polar Surface Area: 78.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 282.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 26750-81-2, the molecular formula is C13H17NO4, and the molecular weight is 251.28 g/mol. InChIKey UMJHTFHIQDEGKB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.