SU 5201 - ≥98% , CAS No.114727-43-4

CAS: 114727-43-4 Cat. No.: S412259 Formula: C₁₅H₉Cl₂NO Molecular Weight: 290.14 PubChem CID: 5476623

GRADE & PURITY ≥98%

Synonyms

NSC 247030

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

SU 5201 SU 5201 (NSC 247030) is an interleukin-2 (IL-2) inhibitor.

Targets

IL-2

Specifications

Synonyms

NSC 247030

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

SU 5201 (NSC 247030) is an interleukin-2 (IL-2) inhibitor.

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• ALogP: 4.059
• HBD Count: 1
• Rotatable Bond: 1

Names and Identifiers

• Pubchem Sid: 504763860
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763860
• Canonical Smiles: C1=CC=C2C(=C1)C(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)N2
• IUPAC Name: (3Z)-3-[(3,4-dichlorophenyl)methylidene]-1H-indol-2-one
• InChIKey: RCJZXLNWNCVIMJ-XFFZJAGNSA-N
• INCHI: 1S/C15H9Cl2NO/c16-12-6-5-9(8-13(12)17)7-11-10-3-1-2-4-14(10)18-15(11)19/h1-8H,(H,18,19)/b11-7-
• Isomeric SMILES: C1=CC=C2C(=C1)/C(=C/C3=CC(=C(C=C3)Cl)Cl)/C(=O)N2
• PubChem CID: 5476623
• Molecular Weight: 290.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Dichlorobenzenes Aryl chlorides Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 58 mg/mL (199.9 mM); Ethanol: 5 mg/mL (17.23 mM); Water: Insoluble
• Sensitivity: light sensitive
• DMSO(mg / mL) Max Solubility: 58
• DMSO(mM) Max Solubility: 199.903494864548
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 290.100 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 289.006 Da
• Monoisotopic Mass: 289.006 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 396.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1