KM 11060 - Moligand™, ≥98%(HPLC) , CAS No.774549-97-2

CAS: 774549-97-2 Cat. No.: K286877 Molecular Weight: 422.33 EC Number: 633-302-1

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

Z31097998 | CCG-44815 | Oprea1_790000 | 7-chloro-4-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}quinoline | AS-55981 | C76482 | 7-chloro-4-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)quinoline | KM11060, >=98% (HPLC) | A901612 | BCP17185 | EC-000.2090 | EN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Z31097998 | CCG-44815 | Oprea1_790000 | 7-chloro-4-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}quinoline | AS-55981 | C76482 | 7-chloro-4-(4-((4-chlorophenyl)sulfonyl)piperazin-1-yl)quinoline | KM11060, >=98% (HPLC) | A901612 | BCP17185 | EC-000.2090 | EN

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Km11060 is a new corrector for f508del CFTR transport defects, which can correct f508del CFTR transport and increase the number of functional CFTR on the plasma membrane.

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.

Grade

Moligand™

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488191756
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191756
• Canonical Smiles: C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl
• IUPAC Name: 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoline
• InChIKey: GIEHIZKCIZLXLF-UHFFFAOYSA-N
• INCHI: 1S/C19H17Cl2N3O2S/c20-14-1-4-16(5-2-14)27(25,26)24-11-9-23(10-12-24)19-7-8-22-18-13-15(21)3-6-17(18)19/h1-8,13H,9-12H2
• Isomeric SMILES: C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl
• Alternate CAS: 774549-97-2
• Molecular Weight: 422.33
• Reaxy-Rn: 15744663
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15744663&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines 4-aminoquinolines Chloroquinolines Benzenesulfonamides Benzenesulfonyl compounds Dialkylarylamines Chlorobenzenes Aminopyridines and derivatives Organosulfonamides Aryl chlorides Heteroaromatic compounds Sulfonyls Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Aminoquinoline - 4-aminoquinoline - Haloquinoline - Chloroquinoline - Quinoline - Benzenesulfonamide - Benzenesulfonyl group - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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)

HT-29 (80576 Activities)

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

Associated Targets(non-human)

Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 42.23, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.22, Max Conc. mM: 10
• Molecular Weight: 422.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 421.042 Da
• Monoisotopic Mass: 421.042 Da
• Topological Polar Surface Area: 61.900 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 599.000
• 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