Folinic acid, calcium salt pentahydrate - ≥99% , CAS No.6035-45-6

CAS: 6035-45-6 Cat. No.: F304111 Molecular Weight: 601.59 EC Number: 622-950-0

GRADE & PURITY ≥99%

Synonyms

CALCII FOLINAS [WHO-IP LATIN] | 5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N,N,beta-trimethyl-, (+)-, (Z)-2-butenedioate (1:1) | Calcium folinatc | Folinic acid calcium salt pentahydrate | Calcium (2S)-2-(4-(((2-amino-5-formyl-4-oxo-1,4,5,6,7,8-he

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Application：

An intermediate product of the metabolism of Folic Acid. This compound is a mixture of diastereomers.

Specifications

Synonyms

CALCII FOLINAS [WHO-IP LATIN] | 5H-Dibenz(b, f)azepine-5-propanamine, 10, 11-dihydro-N, N, beta-trimethyl-, (+)-, (Z)-2-butenedioate (1:1) | Calcium folinatc | Folinic acid calcium salt pentahydrate | Calcium (2S)-2-(4-(((2-amino-5-formyl-4-oxo-1, 4, 5, 6, 7, 8-he

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Vitamer of folic acid. Supplies cells with tetrahydrofolate. Reduces methotrexate toxicity without abolishing the antitumor effect in vivo. Orally active.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504773440
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773440
• Canonical Smiles: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2]
• IUPAC Name: calcium;(2S)-2-[[4-[(2-amino-5-formyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate;pentahydrate
• InChIKey: NPPBLUASYYNAIG-ZIGBGYJWSA-L
• INCHI: 1S/C20H23N7O7.Ca.5H2O/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;;;;;;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);;5*1H2/q;+2;;;;;/p-2/t12?,13-;;;;;;/m0....../s1
• Isomeric SMILES: C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.[Ca+2]
• Molecular Weight: 601.59
• Reaxy-Rn: 14725516
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14725516&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class 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
• Class: 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 Hippuric acids N-acyl-alpha amino acids Aminobenzamides Benzoyl derivatives Aniline and substituted anilines Phenylalkylamines Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid salts Amino acids Organic calcium salts Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Primary amines
• 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 - Phenylalkylamine - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic calcium salt - Carboxylic acid - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: insoluble in DMSO； insoluble in EtOH； ≥15.04 mg/mL in H2O with gentle warming
• Sensitivity: Moisture & Light sensitive
• Molecular Weight: 601.600 g/mol
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 7
• Exact Mass: 601.166 Da
• Monoisotopic Mass: 601.166 Da
• Topological Polar Surface Area: 226.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 900.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 7

XLogP3

References

1. Nan Jiang, Xuanwei Ding, Yuan Lu.  (2020)  Development of a robust Escherichia coli-based cell-free protein synthesis application platform.  BIOCHEMICAL ENGINEERING JOURNAL,      [PMID:33100890] [10.1016/j.bej.2020.107830]

2. Lekang Liu, Mingbo Shao, Luoyuan Guo, Wenjun Wang, Xiuwen Zheng, Xiaolei Jiang.  (2025)  Cu-Doped MnO2 Nanoparticles Loaded with Docetaxel Synergistically Enhance Chemodynamic Therapy through Ferroptosis and Cuproptosis.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.4c06487]

3. Jian Wang, Xiuzhi Xu, Zhulai Li, Bin Qiu.  (2024)  Simple and sensitive electrochemical sensing of amethopterin by using carbon nanobowl/cyclodextrin electrode.  Heliyon,      [PMID:38832273] [10.1016/j.heliyon.2024.e31060]