KD 5170. - ≥96% , CAS No.940943-37-3

CAS: 940943-37-3 Cat. No.: K275715 Fórmula: C₂₀H₂₅N₃O₅S₂ Peso molecular: 451.55

GRADE & PURITY ≥96%

Synonyms

S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl) ethanethioate | S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl)ethanethioate | N-{5-[2-(acetylsulfanyl)acetyl]pyridin-2-yl}-4-[3-(dimethylami

Storage

Armazenar a -20°C,Dessecado

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

Armazenar a -20°C. Armazenar em condições de dessecação. O produto pode ser armazenado até 12 meses.

Specifications

Sinónimos

S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl) ethanethioate | S-(2-(6-(4-(3-(Dimethylamino)propoxy)phenylsulfonamido)pyridin-3-yl)-2-oxoethyl)ethanethioate | N-{5-[2-(acetylsulfanyl)acetyl]pyridin-2-yl}-4-[3-(dimethylami

Especificações e pureza

≥96%

Mecanismos bioquímicos e fisiológicos

Potent, non-selective HDAC inhibitor (IC 50 values are 14, 20, 26 and 75 nM for HDAC6, 1, 4, and 3, respectively and 2 μM for HDAC2). Antiproliferative agent. Induces oxidative stress and oxidative DNA damage. Shows antitumor effects in vivo. Orally activ

Condições de armazenamento de armazenamento

Armazenar a -20°C,Dessecado

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

INHIBITOR

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

≥96%

Nomes e identificadores

• Sorrisos canónicos: CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCCCN(C)C
• IUPAC Name: S-[2-[6-[[4-[3-(dimethylamino)propoxy]phenyl]sulfonylamino]pyridin-3-yl]-2-oxoethyl] ethanethioate
• InChIKey: KXWBUKMWZKTHCV-UHFFFAOYSA-N
• INCHI: 1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
• SMILES isoméricas: CC(=O)SCC(=O)C1=CN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OCCCN(C)C
• Peso molecular: 451.55
• Reaxy-Rn: 12894882
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12894882&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aryl alkyl ketones Phenol ethers Phenoxy compounds Alkyl aryl ethers Imidolactams Organosulfonamides Pyridines and derivatives Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Carbothioic S-esters Thioesters Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyridine - Imidolactam - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amino acid or derivatives - Ketone - Carbothioic s-ester - Tertiary amine - Thiocarboxylic acid ester - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Sulfenyl compound - Thiocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 100 mM and in 1eq. HCl to 100 mM
• Peso molecular: 451.600 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 451.124 Da
• Monoisotopic Mass: 451.124 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 658.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 940943-37-3, the molecular formula is C20H25N3O5S2, and the molecular weight is 451.55 g/mol. InChIKey KXWBUKMWZKTHCV-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.