Folitixorin (Mixture of Diastereomers) - ≥75% , CAS No.3432-99-3

CAS: 3432-99-3 Cat. No.: F339657 Molecular Weight: 457.44

GRADE & PURITY ≥75%

Synonyms

MFCD19443704 | Q192838 | Sodium chromate (51Cr) (JP17/INN) | 5,10-Methylene-5,6,7,8-tetrahydrofolic acid | N-{4-[3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid | N5,N10-Methylenetetrahydropteroylglutamic Acid

Storage

Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Application：

A stable folate lyophilized compound suitable for use in the treatment of cancer and other therapies.

Specifications

Synonyms

MFCD19443704 | Q192838 | Sodium chromate (51Cr) (JP17/INN) | 5, 10-Methylene-5, 6, 7, 8-tetrahydrofolic acid | N-{4-[3-amino-1-oxo-1, 2, 5, 6, 6a, 7-hexahydroimidazo[1, 5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid | N5, N10-Methylenetetrahydropteroylglutamic Acid

Specifications & Purity

≥75%

Storage

Argon charged, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Purity

≥75%

Names and Identifiers

• Canonical Smiles: C1C2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-[[4-(3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid
• InChIKey: QYNUQALWYRSVHF-ABLWVSNPSA-N
• INCHI: 1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1
• Isomeric SMILES: C1C2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O
• Molecular Weight: 457.44
• Reaxy-Rn: 1235429
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1235429&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Glutamic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Glutamic acid and derivatives
• Alternative Parents: N-acyl-alpha amino acids Hippuric acids Pterins and derivatives Phenylimidazolidines Imidazopyrazines Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Secondary alkylarylamines Hydroxypyrimidines Dicarboxylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Pterin - Phenylimidazolidine - Pteridine - Benzamide - Benzoic acid or derivatives - Imidazopyrazine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Secondary aliphatic/aromatic amine - Hydroxypyrimidine - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyrimidine - Imidazolidine - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid - Secondary amine - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: benzamides - methylenetetrahydrofolic 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

Associated Targets(Human)

TYMS Tclin Thymidylate synthase (1651 Activities)

Discover Target: TYMS

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

Associated Targets(non-human)

Enterococcus faecium (13803 Activities)

Explore this target

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

Lacticaseibacillus casei (578 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO.
• Sensitivity: moisture sensitive
• Melt Point(°C): >220° C
• Molecular Weight: 457.400 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 457.171 Da
• Monoisotopic Mass: 457.171 Da
• Topological Polar Surface Area: 190.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 911.000
• 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: 1