NSC 87877 - ≥98% (HPLC) , CAS No.56990-57-9

CAS: 56990-57-9 Cat. No.: N288675 Formula: C₁₉H₁₃N₃O₇S₂ Peso molecolare: 459.45 Numero EC: 637-218-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

acido 8-osso-7-[(6-sulfo-2-naftalenil)idrazinilidene]-5-quinolinesolfonico | CCG-37311 | NCIStruc1_001562 | NCI60_041943 | NSC 87877 | Acido 2-fluoro-4-clorofenilboronico | A899784 | CHEBI:95064 | Q27166834 | 8-idrossi-7-((6-sulfo-2-naftil)diazenil)-5-q

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Panoramica

descrizione del prodotto：Inibitore di Shp2 / Shp1 PTP

Inibitore della PTP Shp2 /shp1

Specifications

Sinonimi

acido 8-osso-7-[(6-sulfo-2-naftalenil)idrazinilidene]-5-quinolinesolfonico | CCG-37311 | NCIStruc1_001562 | NCI60_041943 | NSC 87877 | Acido 2-fluoro-4-clorofenilboronico | A899784 | CHEBI:95064 | Q27166834 | 8-idrossi-7-((6-sulfo-2-naftil)diazenil)-5-q

Specifiche e purezza

≥98% (HPLC)

Meccanismi biochimici e fisiologici

Potente inibitore delle tirosin-fosfatasi proteiche (PTP) shp2 e shp1 (i valori IC50 sono 0,318, 0,355, 1,691, 7,745, 65,617, 84,473 e 150,930μM rispettivamente per shp2, shp1, PTP1B, HePTP, DEP1, CD45 e LAR). Inibisce l'attivazione di Erk1/2 indotta da E

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

INHIBITOR

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 528766330
• Sorrisi canonici: C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
• IUPAC Name: 8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid
• InChIKey: XGMFVZOKHBRUTL-UHFFFAOYSA-N
• INCHI: 1S/C19H13N3O7S2/c23-19-16(10-17(31(27,28)29)15-2-1-7-20-18(15)19)22-21-13-5-3-12-9-14(30(24,25)26)6-4-11(12)8-13/h1-10,23H,(H,24,25,26)(H,27,28,29)
• Isomeri SMILES: C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O
• Peso molecolare: 459.45
• Reaxy-Rn: 464616
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=464616&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives
        • Level5 Naphthalene sulfonates
          • Level6 2-naphthalene sulfonates

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Naphthalene sulfonates
• Direct Parent: 2-naphthalene sulfonates
• Alternative Parents: 2-naphthalene sulfonic acids and derivatives 8-hydroxyquinolines 1-sulfo,2-unsubstituted aromatic compounds Phenols Pyridines and derivatives Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - 8-hydroxyquinoline - Quinoline - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Phenol - Pyridine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azo compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
• 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

Proprietà chimiche e fisiche

• Solubilità: Solvent:water, Max Conc. mg/mL: 22.97, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 9.19, Max Conc. mM: 20
• Peso molecolare: 459.500 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 459.019 Da
• Monoisotopic Mass: 459.019 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 883.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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