Necrox-5 methanesulfonate - ≥98% , CAS No.1383718-29-3

CAS: 1383718-29-3 Cat. No.: N344895 Formula: C₂₇H₃₉N₃O₉S₃ Peso molecolare: 645.81

GRADE & PURITY ≥98%

Synonyms

Necrox-5 methanesulfonate

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Necrox-5 is a cell-permeable necrosis inhibitor. Primarily localizes in mitochondria and also possesses antioxidant properties. Necrox-5 selectively blocks oxidative stress-induced necrotic cell death.

Specifications

Sinonimi

Necrox-5 methanesulfonate

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CS(=O)(=O)O.CS(=O)(=O)O.C1COCCC1CNC2=CC(=CC3=C2NC(=C3)C4=CC=CC=C4)CN5CCS(=O)(=O)CC5

IUPAC Name

5-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(oxan-4-ylmethyl)-2-phenyl-1H-indol-7-amine;methanesulfonic acid

InChIKey

ZWWWDIWEZYRVMB-UHFFFAOYSA-N

INCHI

1S/C25H31N3O3S.2CH4O3S/c29-32(30)12-8-28(9-13-32)18-20-14-22-16-23(21-4-2-1-3-5-21)27-25(22)24(15-20)26-17-19-6-10-31-11-7-19;2*1-5(2,3)4/h1-5,14-16,19,26-27H,6-13,17-18H2;2*1H3,(H,2,3,4)

Isomeri SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1COCCC1CNC2=CC(=CC3=C2NC(=C3)C4=CC=CC=C4)CN5CCS(=O)(=O)CC5

Peso molecolare

645.81

Reaxy-Rn

36688290

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36688290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenylindoles
• Alternative Parents: Phenylpyrroles Secondary alkylarylamines Aralkylamines Thiomorpholines Oxanes Benzene and substituted derivatives Sulfones Alkanesulfonic acids Organosulfonic acids Methanesulfonates Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: 2-phenylindole - 2-phenylpyrrole - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Oxane - Substituted pyrrole - 1,4-thiazinane - Benzenoid - Methanesulfonate - Pyrrole - Heteroaromatic compound - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Secondary amine - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: n20D~1.64 (Predicted)
• Peso molecolare: 645.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 645.185 Da
• Monoisotopic Mass: 645.185 Da
• Topological Polar Surface Area: 208.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 778.000
• 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: 3

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. 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 1383718-29-3, the molecular formula is C27H39N3O9S3, and the molecular weight is 645.81 g/mol. InChIKey ZWWWDIWEZYRVMB-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.