NL-1 - ≥98% , CAS No.188532-26-5

CAS: 188532-26-5 Cat. No.: N412534 Fórmula: C₁₈H₂₅NO₃S Peso molecular: 335.46

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

NL-1 is an inhibitor of mitoNEET with antileukemic effect. NL-1 inhibits REH and REH/Ara-C cells growth with IC50 of 47.35 µM and 56.26 µM, respectively.

Specifications

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

NL-1 is an inhibitor of mitoNEET with antileukemic effect. NL-1 inhibits REH and REH/Ara-C cells growth with IC50 of 47.35 µM and 56.26 µM, respectively.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528766289
• Sorrisos canónicos: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)NC(=O)S2
• IUPAC Name: 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
• InChIKey: QDYYSPGKYXWGSL-UHFFFAOYSA-N
• INCHI: 1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,13,20H,9H2,1-6H3,(H,19,21,22)
• SMILES isoméricas: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)NC(=O)S2
• Peso molecular: 335.46
• Reaxy-Rn: 8570390
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8570390&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Thiazolidinediones Phenols Dicarboximides Thiocarbamic acid derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpropane - Phenol - Thiazolidinedione - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

Alvos associados (humanos)

CISD1 Tchem CDGSH iron-sulfur domain-containing protein 1 (1 Activities)

Discover Target: CISD1

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

Propriedades químicas e físicas

• Solubilidade: DMSO: 250 mg/mL (745.25 mM), Need ultrasonic( < 1 mg/mL refers to the product slightly soluble or insoluble )
• Peso molecular: 335.500 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 335.156 Da
• Monoisotopic Mass: 335.156 Da
• Topological Polar Surface Area: 91.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 454.000
• 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