N-(4-Aminobenzoyl)-L-glutamic acid - ≥97% , CAS No.4271-30-1

CAS: 4271-30-1 Cat. No.: A111243 Peso molecular: 266.25 Beilstein Registry Number: 2816320 Número EC: 224-261-7

GRADE & PURITY ≥97%

Synonyms

(S)-2-(4-Aminobenzamido)pentanedioic acid | SCHEMBL63083 | p-Amino Benzamide Glutamic Acid | 4-Aminobenzoylglutamate | (2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid | 9BKY99A8HJ | DS-15609 | 2''-deoxyuridine 5''-(tetrahydrogen triphosphate) | FOLIC ACID

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(S)-2-(4-Aminobenzamido)pentanedioic acid | SCHEMBL63083 | p-Amino Benzamide Glutamic Acid | 4-Aminobenzoylglutamate | (2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid | 9BKY99A8HJ | DS-15609 | 2''-deoxyuridine 5''-(tetrahydrogen triphosphate) | FOLIC ACID

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488188575
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188575
• Sonrisas canónicas: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N
• IUPAC Name: (2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid
• InChIKey: GADGMZDHLQLZRI-VIFPVBQESA-N
• INCHI: 1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
• Isómeros SMILES: C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
• WGK Alemania: 3
• Peso molecular: 266.25
• Beilstein: 2816320
• Reaxy-Rn: 1221253
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1221253&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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 Aminobenzamides Benzoyl derivatives Aniline and substituted anilines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Carboxylic acids Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Glutamic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Primary amine - Aromatic homomonocyclic compound
• Descripción: 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: substituted aniline - dipeptide - dicarboxylic acid - N-acyl-L-alpha-amino 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

Objetivos asociados (humanos)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Rotación específica [α]: -15° (C=2,0.1mol/l HCl)
• Punto de fusión (°C): 173°C。
• Peso molecular: 266.250 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 266.09 Da
• Monoisotopic Mass: 266.09 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 350.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Shengqi Zhang, Qian Yin, Shangwei Zhang, Kyriakos Manoli, Lei Zhang, Xin Yu, Mingbao Feng.  (2022)  Chlorination of methotrexate in water revisited: Deciphering the kinetics, novel reaction mechanisms, and unexpected microbial risks.  WATER RESEARCH,      [PMID:36198210] [10.1016/j.watres.2022.119181]

2. Cheng Chen, Qingyun Wei, Zhen Zhu, Wenhui Wu, Tiantian Gong, Yangbo Lv, Aimei Zhang, Chunping Hu, Qichen Zhan, Tao Cao, Peng Cao.  (2025)  A thermoresponsive magnetic nanocarrier with the DNA-mimetic base pairing-guided controlled release of methotrexate in the treatment of rheumatoid arthritis.  JOURNAL OF CONTROLLED RELEASE,      [PMID:40513670] [10.1016/j.jconrel.2025.113952]