PHPS1 sodium - ≥98% , CAS No.1177131-02-0

CAS: 1177131-02-0 Cat. No.: P649170 Molecular Weight: 487.42 PubChem CID: 2750336

GRADE & PURITY ≥98%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

PHPS1 sodium is a potent and selective Shp2 inhibitor with K i s of 0.73, 5.8, 10.7, 5.8, and 0.47 μM for Shp2 , Shp2-R362K, Shp1, PTP1B, and PTP1B-Q, respectively

In Vitro

PHPS1 (30 μM; 6 days) inhibits proliferation of human tumor cells. PHPS1 (5-20 μM; 5-360 minutes) inhibits Erk1/2 but not Akt and Stat3 phosphorylation in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Human cancer cell lines MDA-MB-435, HCT-116 (colon carcinoma), HCT-15 (colon carcinoma), PC-3 (prostate carcinoma), HT-29 (colon carcinoma), NCI-H661 (lung carcinoma), and Caki-1 (kidney carcinoma) Concentration: 30 μM Incubation Time: 6 days Result: Resulted in a reduction in cell number of between 0% (Caki-1) to 74% (HT-29). Western Blot AnalysisCell Line: Madin-Darby canine kidney (MDCK) cells Concentration: 5, 10, 20 μM Incubation Time: 5, 15, 60, 120, 360 minutes Result: Inhibited HGF/SF (1 unit/mL)-induced phosphorylation and thus activation of Erk1/2 over a time period of 15 min to 6 h. In contrast, transient phosphorylation of Erk1/2 after 5 min was not affected. Exhibited no effect on HGF/SF-induced activation of PI3K/Akt or Stat3.

In Vivo

PHPS1 (3 mg/kg; i.p. injection; every day during the last week on the high-fat diet) renders Ldlr -/- mice less susceptible to atherosclerosis development. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Ldlr -/- (005061) miceDosage: 3 mg/kg Administration: Intraperitoneal (i.p.) injection; every day during the last week on the high-fat diet. Result: Revealed a significant decrease in atherosclerotic plaque size in the aorta compared with the other two groups.

Form:Solid

IC50& Target:Ki: 0.73 μM (Shp2), 5.8 μM (Shp2-R362K), 10.7 μM (Shp1), 5.8 μM (PTP1B), 0.47 μM (PTP1B-Q)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

PHPS1 sodium is a potent and selective Shp2 inhibitor with K i s of 0.73, 5.8, 10.7, 5.8, and 0.47 μM for Shp2 , Shp2-R362K, Shp1, PTP1B, and PTP1B-Q, respectively.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• 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-].[Na+]
• IUPAC Name: sodium;4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
• InChIKey: UGCJGIIIVDWGCA-UHFFFAOYSA-M
• INCHI: 1S/C21H15N5O6S.Na/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;/h1-13,20H,(H,30,31,32);/q;+1/p-1
• 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-].[Na+]
• PubChem CID: 2750336
• Molecular Weight: 487.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Nitrobenzenes Nitroaromatic compounds Pyrazolones Sulfonyls Organosulfonic acids Azo compounds Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Pyrazoline - Organic sulfonic acid or derivatives - Organic nitro compound - Azo compound - C-nitro compound - Azacycle - Organic oxoazanium - Organic alkali metal salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic sodium salt - Organopnictogen compound - Organic salt - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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