WAY-325090 - ≥98% , CAS No.1008280-11-2

CAS: 1008280-11-2 Cat. No.: W418365 Formula: C₁₈H₁₉FN₂O₃S Peso molecolare: 362.4 PubChem CID: 4596752

GRADE & PURITY ≥98%

Synonyms

2-(ethanesulfonyl)-N-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

microRNA modulator

Specifications

Sinonimi

2-(ethanesulfonyl)-N-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

4.505

Conteggio HBD

1

Legame rotabile

5

Nomi e identificatori

Pubchem Sid

488194921

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194921

Sorrisi canonici

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)F

IUPAC Name

2-ethylsulfonyl-N-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

InChIKey

GIFKAXXYBATRFF-UHFFFAOYSA-N

INCHI

1S/C18H19FN2O3S/c1-2-25(23,24)21-12-14-6-4-3-5-13(14)11-17(21)18(22)20-16-9-7-15(19)8-10-16/h3-10,17H,2,11-12H2,1H3,(H,20,22)

Isomeri SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)F

PubChem CID

4596752

Peso molecolare

362.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Tetrahydroisoquinolines Anilides N-arylamides Fluorobenzenes Organosulfonamides Organic sulfonamides Aryl fluorides Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Tetrahydroisoquinoline - Anilide - N-arylamide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carbonyl group - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organosulfur compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Obiettivi associati (umani)

HepG2 (196354 Activities)

Explore this target

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

microRNA 21 (64692 Activities)

Explore this target

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

Obiettivi associati (non umani)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• DMSO (mM) Solubilità massima: 10