MMV009108 - Moligand™ , Plasmodium falciparum Niemann-Pick type C1-related protein, CAS No.M611966, Plasmodium falciparum Niemann-Pick type C1-related protein

CAS: M611966 Cat. No.: M611966 PubChem CID: 2297659

GRADE & PURITY Moligand™

Synonyms

GNF-Pf-3616

Storage

Room temperature

Specifications

Synonyme

GNF-Pf-3616

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Mechanismus der Wirkung

Plasmodium falciparum Niemann-Pick type C1-related protein

Namen und Kennungen

• Kanonisches Lächeln: CCN(S(=O)(=O)c1ccc(cc1)c1csc(n1)Nc1ccc(c(c1)C)C)CC
• IUPAC Name: 4-[2-[(3,4-dimethylphenyl)amino]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
• InChIKey: CFAYJTHICHSZHC-UHFFFAOYSA-N
• INCHI: 1S/C21H25N3O2S2/c1-5-24(6-2)28(25,26)19-11-8-17(9-12-19)20-14-27-21(23-20)22-18-10-7-15(3)16(4)13-18/h7-14H,5-6H2,1-4H3,(H,22,23)
• Isomere SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC(=C(C=C3)C)C
• PubChem CID: 2297659

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds o-Xylenes Aniline and substituted anilines 2,4-disubstituted thiazoles Organosulfonamides 2-amino-1,3-thiazoles Heteroaromatic compounds Aminosulfonyl compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - O-xylene - Xylene - 2,4-disubstituted 1,3-thiazole - Organosulfonic acid amide - 1,3-thiazol-2-amine - Organosulfonic acid or derivatives - Azole - Sulfonyl - Heteroaromatic compound - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thiazole - Organoheterocyclic compound - Azacycle - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene 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

Zugehörige Ziele (menschlich)

NCR1 Tbio Natural cytotoxicity triggering receptor 1 (0 Activities)

Discover Target: NCR1

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 415.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 415.139 Da
• Monoisotopic Mass: 415.139 Da
• Topological Polar Surface Area: 98.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 583.000
• 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

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is M611966. InChIKey CFAYJTHICHSZHC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.