PTP Inhibitor V, PHPS1 - ≥95% , CAS No.314291-83-3

CAS: 314291-83-3 Cat. No.: P341018 Molecular Weight: 465.45 PubChem CID: 3109390

GRADE & PURITY ≥95%

Synonyms

(E)-4-(2-(3-(4-nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzenesulfonic acid | PTPNN1 Inhibitor | 4-(Nʹ-(3-(4-Nitrophenyl)-5-oxo-1-phenyl-1,5-dihydro-pyrazol-(4Z)-ylidene)-hydrazino)-benzenesulfonic acid | EC-PTP/PCPTP1 Inhibitor I

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

PTP inhibitor V, PHPS1 is a cell-permeable phosphotyrosine analogue, which can be used as a reversible, active site as a target, and a Shp-2 inhibitor that competes with the substrate (IC | 50 | and K | i | = 2.1 and 0.73 µM). PHPS1 inhibits ECPTP, PTP1B, Shp1, Mycobacterium MptpA only at higher concentrations (IC | 50 | 5.4, 19, 30, and 39 µM, respectively), and even almost none against PTPH1, STEP, PTPN7, PTPRK, GLEPP1 or LAR2 active. Concentrations up to 50 µM. PTP inhibitor V, PHPS1 has been shown to inhibit Shp-2-dependent cell signal transduction and tumor cell colony formation.

Specifications

Synonyms

(E)-4-(2-(3-(4-nitrophenyl)-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)benzenesulfonic acid | PTPNN1 Inhibitor | 4-(Nʹ-(3-(4-Nitrophenyl)-5-oxo-1-phenyl-1, 5-dihydro-pyrazol-(4Z)-ylidene)-hydrazino)-benzenesulfonic acid | EC-PTP/PCPTP1 Inhibitor I

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 3 months at -20°C.

Purity

≥95%

Product Properties

• Ki Data: Shp-2: Ki= 0.73 μM

Names and Identifiers

• Pubchem Sid: 504762462
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762462
• Canonical Smiles: C1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)O
• IUPAC Name: 4-[[5-(4-nitrophenyl)-3-oxo-2-phenyl-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid
• InChIKey: IYPHPQODKSHEHV-UHFFFAOYSA-N
• INCHI: 1S/C21H15N5O6S/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16/h1-13,24H,(H,30,31,32)
• Isomeric SMILES: C1=CC=C(C=C1)N2C(=O)C(=C(N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)O
• PubChem CID: 3109390
• Molecular Weight: 465.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Benzenesulfonic acids and derivatives Nitrobenzenes Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Nitroaromatic compounds Pyrazolones Vinylogous amides Sulfonyls Organosulfonic acids Heteroaromatic compounds Lactams Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Nitrobenzene - Arylsulfonic acid or derivatives - Nitroaromatic compound - Benzenoid - Pyrazolinone - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitro compound - C-nitro compound - Lactam - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• 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

Associated Targets(Human)

PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)

Discover Target: PTPN6

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

PTPN11 Tchem Protein-tyrosine phosphatase 2C (2297 Activities)

Discover Target: PTPN11

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

Associated Targets(non-human)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO (10 mg/ml).
• Molecular Weight: 465.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 5
• Exact Mass: 465.074 Da
• Monoisotopic Mass: 465.074 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 902.000
• 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