NCH 51 - ≥98% , CAS No.848354-66-5

CAS: 848354-66-5 Cat. No.: N274711 Peso molecular: 390.57 Número EC: 635-730-4

GRADE & PURITY ≥98%

Synonyms

S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate | dibenzo[b,d]furan-4-yl boronic acid | NCH 51 | EC-000.2462 | HY-12954 | CHEBI:94652 | PTACH | Q27166466 | NCH-51 | PTACH, >=98% (HPLC), solid | 2-Methylpropanethioic acid S-[7-o

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

S-[7-oxo-7-[(4-phenyl-1, 3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate | dibenzo[b, d]furan-4-yl boronic acid | NCH 51 | EC-000.2462 | HY-12954 | CHEBI:94652 | PTACH | Q27166466 | NCH-51 | PTACH, >=98% (HPLC), solid | 2-Methylpropanethioic acid S-[7-o

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Novel HDAC inhibitor (IC 50 values are 32, 48 and 41 nM at HDAC4, HDAC1 and HDAC6, respectively). Induces apoptosis and inhibits cell growth of various malignant cells and tumor cells lines (EC 50 = 3.8 μM). Also reactivates latent HIV-1 gene expression.H

Fuente

Synthetic

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ACTIVATOR

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
• IUPAC Name: S-[7-oxo-7-[(4-phenyl-1,3-thiazol-2-yl)amino]heptyl] 2-methylpropanethioate
• InChIKey: MDYDGUOQFUQOGE-UHFFFAOYSA-N
• INCHI: 1S/C20H26N2O2S2/c1-15(2)19(24)25-13-9-4-3-8-12-18(23)22-20-21-17(14-26-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3,(H,21,22,23)
• Isómeros SMILES: CC(C)C(=O)SCCCCCCC(=O)NC1=NC(=CS1)C2=CC=CC=C2
• Peso molecular: 390.57
• Reaxy-Rn: 9943595
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9943595&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: 2,4-disubstituted thiazoles Fatty amides Benzene and substituted derivatives Heteroaromatic compounds Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Thiocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
• 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

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

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A498 (42825 Activities)

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DLD-1 (17511 Activities)

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DU-145 (51482 Activities)

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PC-3 (62116 Activities)

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SK-OV-3 (52876 Activities)

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SNB-78 (14240 Activities)

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St-4 (163 Activities)

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T47D (39041 Activities)

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HCT-116 (91556 Activities)

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NCI-H460 (60772 Activities)

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LOX IMVI (44321 Activities)

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Malme-3M (44254 Activities)

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MDA-MB-231 (73002 Activities)

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NCI-H226 (44470 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

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Objetivos asociados (no humanos)

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM and in ethanol to 25 mM
• Peso molecular: 390.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 390.144 Da
• Monoisotopic Mass: 390.144 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 440.000
• 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