Leonurine - ≥98%(HPLC) , CAS No.24697-74-3

CAS: 24697-74-3 Cat. No.: L135393 Fórmula: C₁₄H₂₁N₃O₅ Peso molecular: 311.33 Número CE: 683-174-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

CCG-267591 | SCHEMBL2685302 | AKOS015920020 | UNII-09Q5W34QDA | 1,4-BUTANEDIOL DIMETHACRYLATE [HSDB] | 4-guanidino-1-butanol syringate | DTXSID70179434 | SYRINGIC ACID .DELTA.-GUANIDINOBUTYL ESTER | Leonurine | LEONURINE [MI] | Benzoic acid, 4-hydroxy-3,5

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

product description：

Leonurine, an active alkaloid extracted from Traditional Chinese Medicine Herba leonuri, exerts several biological effects, such as antidiabetic, cardiovascular, and bovine mastitis protection.

Specifications

Sinónimos

CCG-267591 | SCHEMBL2685302 | AKOS015920020 | UNII-09Q5W34QDA | 1,4-BUTANEDIOL DIMETHACRYLATE [HSDB] | 4-guanidino-1-butanol syringate | DTXSID70179434 | SYRINGIC ACID .DELTA.-GUANIDINOBUTYL ESTER | Leonurine | LEONURINE [MI] | Benzoic acid, 4-hydroxy-3,5

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504757508

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757508

Sorrisos canónicos

COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N

IUPAC Name

4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate

InChIKey

WNGSUWLDMZFYNZ-UHFFFAOYSA-N

INCHI

1S/C14H21N3O5/c1-20-10-7-9(8-11(21-2)12(10)18)13(19)22-6-4-3-5-17-14(15)16/h7-8,18H,3-6H2,1-2H3,(H4,15,16,17)

SMILES isoméricas

COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N

WGK Alemanha

3

Peso molecular

311.33

Reaxy-Rn

27312742

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27312742&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives Dimethoxybenzenes Methoxyphenols Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Guanidines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Methoxyphenol - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Phenol - Carboxylic acid ester - Guanidine - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• External Descriptors: trihydroxybenzoic acid

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

Alvos associados (não humanos)

Mus musculus (284745 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO (Slightly) ；≥31.1 mg/mL in DMSO; ≥2.82 mg/mL in EtOH with ultrasonic; ≥3 mg/mL in H2O with ultrasonic
• Sensibilidade: Moisture sensitive
• Ponto de fusão (°C): >157°C (dec.)
• Peso molecular: 311.330 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 311.148 Da
• Monoisotopic Mass: 311.148 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 359.000
• 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