GRADE & PURITY ≥98%(HPLC)

Synonyms

N2-[[3-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]-L-arginine trifluoroacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N2-[[3-[(2, 1, 3-Benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]-L-arginine trifluoroacetate

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Neuropilin 1 (NRP1) antagonist; inhibits VEGFA binding to the NRP1 b1 CendR binding pocket. Has no effect on VEGFA binding to VEGFR-1 and VEGFR-2. Reduces VEGFA-induced VEGFR-2 tyrosine phosphorylation in HUVECs. Also attenuates VEGFA-induced HUVEC cell m

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.

Tipo de acción

ANTAGONIST

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504770561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770561
• Sonrisas canónicas: C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(SC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O.C(=O)(C(F)(F)F)O
• IUPAC Name: (2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid
• InChIKey: ZYQBITUOSRZDTG-MERQFXBCSA-N
• INCHI: 1S/C17H19N7O5S3.C2HF3O2/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9;3-2(4,5)1(6)7/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20);(H,6,7)/t11-;/m0./s1
• Isómeros SMILES: C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(SC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O.C(=O)(C(F)(F)F)O
• PubChem CID: 45142253
• Peso molecular: 611.59

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 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• 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 - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Benzothiadiazoles 2-heteroaryl carboxamides Thiophene carboxamides Benzenoids Organosulfonamides Alpha-halocarboxylic acids Aminosulfonyl compounds Vinylogous amides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxylic acids Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Alkyl fluorides
• Molecular Framework: Not available
• Substituents: N-acyl-alpha-amino acid - 2,1,3-benzothiadiazole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Vinylogous amide - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Sulfonyl - Aminosulfonyl compound - Thiophene - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Thiadiazole - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 61.16, Max Conc. mM: 100; Solvent:2eq. NaOH, Max Conc. mg/mL: 61.16, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 611.600 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 611.054 Da
• Monoisotopic Mass: 611.054 Da
• Topological Polar Surface Area: 305.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 901.000
• 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: 2

XLogP3