RP-54745 - Moligand™,≥98% , CAS No.135330-08-4

CAS: 135330-08-4 Cat. No.: R412509 Summenformel: C₁₃H₁₂ClNOS₂ Molekulargewicht: 297.82 PubChem CID: 126203

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one | BCP30814 | 4-Chloro-5-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-3H-1,2-dithiol-3-one | HY-101716 | SCHEMBL4362761 | 3H-1,2-Dithiol-3-one, 4-chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquino

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

RP-54745 inhibits macrophage stimulation and interleukin-1 production. RP-54745 is a potential antirheumatic compound.

Specifications

Synonyme

4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one | BCP30814 | 4-Chloro-5-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-3H-1,2-dithiol-3-one | HY-101716 | SCHEMBL4362761 | 3H-1,2-Dithiol-3-one, 4-chloro-5-(3,4-dihydro-1-methyl-2(1H)-isoquino

Spezifikationen & Reinheit

Moligand™,≥98%

Biochemische und physiologische Mechanismen

RP-54745 inhibits macrophage stimulation and interleukin-1 production. RP-54745 is a potential antirheumatic compound.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: CC1C2=CC=CC=C2CCN1C3=C(C(=O)SS3)Cl
• IUPAC Name: 4-chloro-5-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)dithiol-3-one
• InChIKey: BEJJGVDFQORITE-UHFFFAOYSA-N
• INCHI: 1S/C13H12ClNOS2/c1-8-10-5-3-2-4-9(10)6-7-15(8)12-11(14)13(16)18-17-12/h2-5,8H,6-7H2,1H3
• Isomere SMILES: CC1C2=CC=CC=C2CCN1C3=C(C(=O)SS3)Cl
• PubChem CID: 126203
• Molekulargewicht: 297.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Tetrahydroisoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Tetrahydroisoquinolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrahydroisoquinolines
• Alternative Parents: Dialkylarylamines Benzenoids Aryl chlorides 1,2-dithiole-3-ones Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetrahydroisoquinoline - Dialkylarylamine - Benzenoid - 1,2-dithiole-3-one - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Dithiole - 1,2-dithiole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 297.800 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 297.005 Da
• Monoisotopic Mass: 297.005 Da
• Topological Polar Surface Area: 70.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 398.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1