Pyrintegrin - ≥98%(HPLC) , CAS No.1228445-38-2

CAS: 1228445-38-2 Cat. No.: P286612 Molecular Weight: 451.54 PubChem CID: 46223724

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(cyclopropylmethyl)-4-[[4-(3,4-dihydro-6-hydroxy-1(2H)-quinolinyl)-2-pyrimidinyl]amino]-benzenesulfonamide | N-(Cyclopropylmethyl)-4-[[4-(3,4-dihydro-6-hydroxy-1(2H)-quinolinyl)-2-pyrimidinyl]amino]benzenesulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

N-(cyclopropylmethyl)-4-[[4-(3, 4-dihydro-6-hydroxy-1(2H)-quinolinyl)-2-pyrimidinyl]amino]-benzenesulfonamide | N-(Cyclopropylmethyl)-4-[[4-(3, 4-dihydro-6-hydroxy-1(2H)-quinolinyl)-2-pyrimidinyl]amino]benzenesulfonamide

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Enhances survival of human embryonic stem cells (hESCs) following enzymatic dissociation. Thought to enhance cell-ECM adhesion and activate integrin signaling. Increases adhesion of hESCs to matrigel- and laminin-coated plates, but not to gelatin-coated p

Storage

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%(HPLC)

Names and Identifiers

• Pubchem Sid: 504770694
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770694
• Canonical Smiles: C1CC2=C(C=CC(=C2)O)N(C1)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NCC5CC5
• IUPAC Name: N-(cyclopropylmethyl)-4-[[4-(6-hydroxy-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
• InChIKey: QRJTZIJWDLJKQO-UHFFFAOYSA-N
• INCHI: 1S/C23H25N5O3S/c29-19-7-10-21-17(14-19)2-1-13-28(21)22-11-12-24-23(27-22)26-18-5-8-20(9-6-18)32(30,31)25-15-16-3-4-16/h5-12,14,16,25,29H,1-4,13,15H2,(H,24,26,27)
• Isomeric SMILES: C1CC2=C(C=CC(=C2)O)N(C1)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NCC5CC5
• PubChem CID: 46223724
• Molecular Weight: 451.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Alkyldiarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Alkyldiarylamines
• Alternative Parents: Hydroxyquinolines Hydroquinolines Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Aminopyrimidines and derivatives Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyldiarylamine - Hydroxyquinoline - Benzenesulfonamide - Tetrahydroquinoline - Benzenesulfonyl group - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Phenol - Pyrimidine - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Imidolactam - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino 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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 45.15, Max Conc. mM: 100
• Molecular Weight: 451.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 451.168 Da
• Monoisotopic Mass: 451.168 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 720.000
• 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