Leonurine - 10mM in DMSO , CAS No.24697-74-3

CAS: 24697-74-3 Cat. No.: L422844 분자식: C₁₄H₂₁N₃O₅ 분자량: 311.33 EC 번호: 683-174-6

GRADE & PURITY 10mM in DMSO

Synonyms

CCG-267591 | SCHEMBL2685302 | HY-N0741 | 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-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

동의어

CCG-267591 | SCHEMBL2685302 | HY-N0741 | 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-

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528773725
• 정식 스마일: 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)
• 이성체 SMILES: COC1=CC(=CC(=C1O)OC)C(=O)OCCCCN=C(N)N
• WGK 독일: 3
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(비인간)

Mus musculus (284745 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): >157°C (dec.)
• 분자량: 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

참고 문헌

1. Li Han, Aimei Chen, Ling Liu, Fang Wang.  (2022)  Leonurine Preconditioning Attenuates Ischemic Acute Kidney Injury in Rats by Promoting Nrf2 Nuclear Translocation and Suppressing TLR4/NF-κB Pathway.  CHEMICAL & PHARMACEUTICAL BULLETIN,  70  (1): (66-73).  [PMID:34980736] [10.1248/cpb.c21-00740]

2. Liping Liu, Cheng Wang, Xuemei Luo, Yuwen Wang, Fang Li.  (2021)  Leonurine Alleviates Hypoxia-Induced Myocardial Damage by Regulating miRNAs.  Natural Product Communications,      [PMID:] [10.1177/1934578X211007274]

3. Lianqi Huang, Xin Yang, Anlin Peng, Hui Wang, Xiang Lei, Ling Zheng, Kun Huang.  (2014)  Inhibitory effect of leonurine on the formation of advanced glycation end products.  Food & Function,  6  (2): (584-589).  [PMID:25518982] [10.1039/C4FO00960F]

4. Hu Rui-Jie, Ying Xiao-Long, Zhang Cheng, Wang Xu, Zhan Chang-Sheng.  (2026)  Leonurine Mitigates Experimental Autoimmune Prostatitis by Modulating Macrophage M1 Polarization Through the TLR4/NF-κB Signaling Pathway.  INFLAMMATION,  49  (1): (79).  [PMID:41639329] [10.1007/s10753-026-02468-9]