Nsc-87877

HCID 92577

Notes Reactions

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Basic information

CAS: 56990-57-9
Standard SMILES: O=S(=O)(O)c1ccc2cc(N=Nc3cc(S(=O)(=O)O)c4cccnc4c3O)ccc2c1
InChIKey: XGMFVZOKHBRUTL-UHFFFAOYSA-N
Molecular formula: C19H13N3O7S2
Average molar mass: 459.5 g/mol
Monoisotopic mass: 459.01949211

Overview

8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid is a naphthalenesulfonic acid.

Names & identifiers

Preferred name: Nsc-87877
IUPAC: 8-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid
English name: 5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-
Molecular formula: C19H13N3O7S2
Molecular weight: 459.46

Names & synonyms

56990-57-9NSC-87877T4JN2Y5RZY8-Hydroxy-7-(2-(6-sulfo-2-naphthalenyl)diazenyl)-5-quinolinesulfonic acid8-Hydroxy-7-[2-(6-sulfo-2-naphthalenyl)diazenyl]-5-quinolinesulfonic acidRefChem:854801637-218-6NSC 87877NSC878778-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid5-Quinolinesulfonic acid, 8-hydroxy-7-(6-sulfo-2-naphthylazo)-NCIStruc1_001562

Show more names

NSC 87877(free acid)NSC-87877, 10 mM in DMSOXGMFVZOKHBRUTL-QURGRASLSA-N8-Hydroxy-7-[(6-sulfo-2-naphthyl)azo]-5-quinolinesulfonicacid5-Quinolinesulfonicacid, 8-hydroxy-7-[2-(6-sulfo-2-naphthalenyl)diazenyl]-(7e)-8-oxo-7-[(6-sulfonaphthalen-2-yl)hydrazinylidene]quinoline-5-sulfonic Acid

8-Hydroxy-7-((6-sulfonaphthalen-2-yl)diazenyl)quinoline-5-sulfonic acidCHEMBL472004CHEBI:95064CCG-37311NCI60_0419438-hydroxy-7-[(6-sulfonaphthalen-2-yl)diazenyl]quinoline-5-sulfonic acid(E)-8-hydroxy-7-((6-sulfonaphthalen-2-yl)diazenyl)quinoline-5-sulfonic acidQ27166834

Database identifiers

CAS: 56990-57-9
PubChem CID: 92577
DTXSID: DTXSID90866596
ChEMBL: CHEMBL1208151、CHEMBL1404918、CHEMBL472004
ChEBI: CHEBI:95064
UNII: T4JN2Y5RZY
EC Number: 637-218-6
Nikkaji: J2.702.611G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 183 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 10
Rotatable bonds: 4
Heavy atoms: 31
Formal charge: 0
Complexity: 883

Physicochemical properties

Density: 1.697 · 1.697±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: 4 °C · Store at +4°C
solubility: 45.9 mg/mL · ≥45.9 mg/mL in DMSO; insoluble in EtOH; ≥16.6 mg/mL in H2O with ultrasonic
form: Powder
pka: -0.119 · -0.119±0.40(predicted)
color: Light brown to black
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H335-H315-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H335-H315-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesNSC 87877 is an inhibitor of SHP2 and SHP1 protein tyrosine phosphatases

Suppliers44 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

Additional notes

DefinitionChEBI: 8-oxo-7-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-5-quinolinesulfonic acid is a naphthalenesulfonic acid.

Related reactions

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Compound notes

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