Levomefolic Acid - 10mM in DMSO , CAS No.31690-09-2

CAS: 31690-09-2 Cat. No.: L423295 分子式: C₂₀H₂₅N₇O₆ 分子量: 459.47

GRADE & PURITY 10mM in DMSO

Synonyms

Levomefolic acid|31690-09-2|Levomefolinic acid|LEVOMEFOLATE|LMSR|L-methylfolate|Levomefolicacid|5-Methyltetrahydrofolate|L-5-Methyltetrahydrofolate|L-5-MTHF|(6S)-5-methyltetrahydrofolate|5- methyltetrahydrofolate|8S95DH25XC|CHEBI:15641|5-methyl-(6s)-tetra

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

Levomefolic acid | 31690-09-2 | Levomefolinic acid | LEVOMEFOLATE | LMSR | L-methylfolate | Levomefolicacid | 5-Methyltetrahydrofolate | L-5-Methyltetrahydrofolate | L-5-MTHF | (6S)-5-methyltetrahydrofolate | 5- methyltetrahydrofolate | 8S95DH25XC | CHEBI:15641 | 5-methyl-(6s)-tetra

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

• パブケム・シド: 528765113
• カノニカル・スマイル: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
• InChIKey: ZNOVTXRBGFNYRX-STQMWFEESA-N
• INCHI: 1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
• 異性体SMILES: CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
• 分子量: 459.47
• Reaxy-Rn: 1234904
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1234904&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pteridines and derivatives
      • Subclass Pterins and derivatives
        • Level5 Tetrahydropteroic acids and derivatives
          • Level6 Tetrahydrofolic acids and derivatives
            • Level7 Tetrahydrofolic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pteridines and derivatives
• Subclass: Pterins and derivatives
• Intermediate Tree Nodes: Tetrahydropteroic acids and derivatives - Tetrahydrofolic acids and derivatives
• Direct Parent: Tetrahydrofolic acids
• Alternative Parents: Glutamic acid and derivatives N-acyl-alpha amino acids Hippuric acids Aminobenzamides Aniline and substituted anilines Phenylalkylamines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydrofolic acid - Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenylalkylamine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Secondary aliphatic/aromatic amine - Pyrimidone - Aminopyrimidine - Dicarboxylic acid or derivatives - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit.
• External Descriptors: tetrahydrofolic 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

関連ターゲット（人間）

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 221-224° C (lit.)
• 分子量: 459.500 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 459.187 Da
• Monoisotopic Mass: 459.187 Da
• Topological Polar Surface Area: 198.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 865.000
• 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

参考文献

1. Linlin He, Yuqian Yan, Gang Zhang, Yanna Zhao, Fa Zhao, Zhuang Ding, Zhengping Wang.  (2024)  Non-Covalent Interaction of Folic Acid and 5-Methyltetrahydrofolate with Caseinates Improves the Folates Stability Studied by Multi-Spectroscopic Analysis and Molecular Docking.  Foods,  13  (17): (2756).  [PMID:39272522] [10.3390/foods13172756]

2. Zhou Yang, Lingling Dai, Fangfei Liu, Kun Jia, Zhiyuan Ren, Yanmei Yang, Qingmeng Zhang, Weifeng Li, Ming Chen.  (2025)  Thermostable CNTs@Au NPs nanocomposites for high-temperature assisted SERS molecular fingerprinting of two natural folates.  ANALYTICA CHIMICA ACTA,      [PMID:41135988] [10.1016/j.aca.2025.344678]

3. Ningli Ye, Minghui Yu, Haixin Ju, Yuanyan Jiang, Yumeng Zhang, Lei Sun, Xiaohui Wu, Jing Chen, Hong Xu, Qian Shen.  (2026)  Excessive maternal methionine intake increases the incidence of congenital anomalies of the kidney and urinary tract in offspring mice.  NUTRITION RESEARCH,      [PMID:42508229] [10.1016/j.nutres.2026.06.011]