EG 00229 trifluoroacetate - ≥98%(HPLC) , CAS No.1210945-69-9

CAS: 1210945-69-9 Cat. No.: E287676 Fórmula: C₁₇H₁₉N₇O₅S₃.CF₃CO₂H Peso molecular: 611.59 PubChem CID: 45142253

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

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504770561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770561

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe 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
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 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
• Sensibilidade: 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