AS1517499 - ≥97% , CAS No.919486-40-1

CAS: 919486-40-1 Cat. No.: A414116 Molecular Weight: 397.86

GRADE & PURITY ≥97%

Synonyms

AS1517499, >=98% (HPLC) | 4-benzylamino-2-{[2-(3-chloro-4-hydroxyphenyl)ethyl]amino}pyrimidine-5-carboxamide | AKOS016013167 | AS1517499 | AS-1517499 | CCG-268628 | ACon1_001470 | Q27254731 | 4-(Benzylamino)-2-((3-chloro-4-hydroxyphenethyl)amino)pyrimidin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

AS1517499 AS1517499 is a novel and potent STAT6 inhibitor with an IC50 value of 21 nM.

Targets

STAT6 (Cell-free assay) 21 nM

In vitro

AS1517499 inhibit IL-4-induced Th2 differentiation of mouse spleen T cells, but has no influence on Th1 differentiation induced by IL-12. AS1517499 is able to prevent the IL-4-activated STAT6-mediated increase of the clonogenic potential of primary PCa cells. At a dose of 300\u2009nM, AS1517499 decreases the clonogenic potential of primary basal PCa cells.

In vivo

In vivo treatment with AS1517499 ameliorates the antigen-induced bronchial smooth muscle (BSM) hyperresponsiveness by inhibiting the RhoA up-regulation in BSMs and, at least in part, by reducing the IL-13 production in the airways in mice. AS1517499 reduces preventive effects of apoptotic cell instillation on bleomycin-induced lung fibrosis by suppressing PPARγ.

Cell Research(from reference)

Cell lines：Normal human BSM cells 

Concentrations：100 nM 

Incubation Time：30 min 

Specifications

Synonyms

AS1517499, >=98% (HPLC) | 4-benzylamino-2-{[2-(3-chloro-4-hydroxyphenyl)ethyl]amino}pyrimidine-5-carboxamide | AKOS016013167 | AS1517499 | AS-1517499 | CCG-268628 | ACon1_001470 | Q27254731 | 4-(Benzylamino)-2-((3-chloro-4-hydroxyphenethyl)amino)pyrimidin

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

AS1517499 is a novel and potent STAT6 inhibitor with an IC50 value of 21 nM.

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

≥97%

Names and Identifiers

• Pubchem Sid: 504765406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765406
• Canonical Smiles: C1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)N)NCCC3=CC(=C(C=C3)O)Cl
• IUPAC Name: 4-(benzylamino)-2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidine-5-carboxamide
• InChIKey: OZRMEKAUZBKTTC-UHFFFAOYSA-N
• INCHI: 1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)
• Isomeric SMILES: C1=CC=C(C=C1)CNC2=NC(=NC=C2C(=O)N)NCCC3=CC(=C(C=C3)O)Cl
• Molecular Weight: 397.86
• Reaxy-Rn: 10721388
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10721388&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxamides
• Alternative Parents: O-chlorophenols Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinecarboxamide - Benzylamine - 2-halophenol - 2-chlorophenol - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide.
• 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)

STAT6 Tchem Signal transducer and activator of transcription 6 (2 Activities)

Discover Target: STAT6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HepG2 (196354 Activities)

Explore this target

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

STAT6 Tchem Signal transducer and activator of transcription 6 (445 Activities)

Discover Target: STAT6

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 79 mg/mL (198.56 mM); Ethanol: 36 mg/mL (90.48 mM); Water: Insoluble
• Molecular Weight: 397.900 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 397.131 Da
• Monoisotopic Mass: 397.131 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 491.000
• 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