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

동의어

GNF-Pf-3616

사양 및 순도

Moligand™

보관 조건

Room temperature

등급

Moligand™

작동 메커니즘

Plasmodium falciparum Niemann-Pick type C1-related protein

이름과 식별자

정식 스마일

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)

이성체 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
    • 분류 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

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.