Levomefolate calcium - ≥95% , CAS No.151533-22-1

CAS: 151533-22-1 Cat. No.: L302964 分子式: C₂₀H₂₃CaN₇O₆ 分子量: 497.52 EC番号: 691-636-3

GRADE & PURITY ≥95%

Synonyms

CALCIUM L-5-METHYLTETRAHYDROFOLATE [DSC] | Rhenium, wire reel, 0.2m, diameter 0.076mm, annealed, 99.97% | BAY86-7660 | Levomefolate calcium | L-5-mthf-ca | Q27273818 | Levomefolinate calcium | NDI 638 | Metafolin | A9R10K3F2F | calcium (2S)-2-[4-({[(6S)-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

CALCIUM L-5-METHYLTETRAHYDROFOLATE [DSC] | Rhenium, wire reel, 0.2m, diameter 0.076mm, annealed, 99.97% | BAY86-7660 | Levomefolate calcium | L-5-mthf-ca | Q27273818 | Levomefolinate calcium | NDI 638 | Metafolin | A9R10K3F2F | calcium (2S)-2-[4-({[(6S)-2

仕様と純度

≥95%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

純度

≥95%

名前と識別子

パブケム・シド

504773382

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504773382

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-].[Ca+2]

IUPAC Name

calcium;(2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate

InChIKey

VWBBRFHSPXRJQD-QNTKWALQSA-L

INCHI

1S/C20H25N7O6.Ca/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);/q;+2/p-2/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-].[Ca+2]

分子量

497.52

Reaxy-Rn

14725503

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14725503&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 Benzoyl derivatives Dialkylarylamines Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Amino acids Carboxylic acids Organic calcium salts Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydrofolic acid - Glutamic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrimidone - Secondary aliphatic/aromatic amine - Aminopyrimidine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary amine - Organic calcium salt - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - Primary amine - Organic oxygen compound - Organic salt - Organic zwitterion - Amine - Organopnictogen compound - 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: 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

関連ターゲット（人間）

Homo sapiens (32628 Activities)

Explore this target

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）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

• 感度: Moisture sensitive
• 分子量: 497.500 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 497.134 Da
• Monoisotopic Mass: 497.134 Da
• Topological Polar Surface Area: 204.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 854.000
• 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: 2

XLogP3