Actinoquinol - ≥99% , CAS No.15301-40-3

CAS: 15301-40-3 Cat. No.: A131998 Formule: C₁₁H₁₁NO₄S·xH₂O Poids moléculaire: 253.27 Numéro CE: 239-334-9

QUALITÉ & PURETÉ ≥99%

Synonyms

5-Quinolinesulfonic acid, 8-ethoxy- | Actinoquinol | Q15633953 | NSC 165584 | 8-Ethoxy-5-chinolinsulfonsaeure | NCGC00166018-01 | D90489 | MFCD00065059 | Actinoquinolum [INN-Latin] | CAS-15301-40-3 | CHEBI:135031 | NSC165584 | NSC-165584 | Tox21_112289 |

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

5-Quinolinesulfonic acid, 8-ethoxy- | Actinoquinol | Q15633953 | NSC 165584 | 8-Ethoxy-5-chinolinsulfonsaeure | NCGC00166018-01 | D90489 | MFCD00065059 | Actinoquinolum [INN-Latin] | CAS-15301-40-3 | CHEBI:135031 | NSC165584 | NSC-165584 | Tox21_112289 |

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥99%

Noms et identifiants

Sourires canoniques

CCOC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2

IUPAC Name

8-ethoxyquinoline-5-sulfonic acid

InChIKey

YAMVZYRZAMBCED-UHFFFAOYSA-N

INCHI

1S/C11H11NO4S/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9/h3-7H,2H2,1H3,(H,13,14,15)

Isomères SMILES

CCOC1=C2C(=C(C=C1)S(=O)(=O)O)C=CC=N2

Poids moléculaire

253.27

Reaxy-Rn

225878

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=225878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: 1-sulfo,2-unsubstituted aromatic compounds Alkyl aryl ethers Pyridines and derivatives Benzenoids Sulfonyls Organosulfonic acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Alkyl aryl ether - Pyridine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Ether - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 253.280 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 253.041 Da
• Monoisotopic Mass: 253.041 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 351.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 15301-40-3, the molecular formula is C11H11NO4S·xH2O, and the molecular weight is 253.27 g/mol. InChIKey YAMVZYRZAMBCED-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.