Necrosulfonamide - ≥99% , CAS No.1360614-48-7

CAS: 1360614-48-7 Cat. No.: N302487 Formule: C₁₈H₁₅N₅O₆S₂ Poids moléculaire: 461.47

GRADE & PURITY ≥99%

Synonyms

STL429797 | HY-100573A | SCHEMBL17509590 | DTXSID00364437 | MFCD02370191 | (E)-N-[4-[N-(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophene-2-yl)acrylamide | AC-37076 | (2E)-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-(5-nitrothiophen-2-yl)pr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

STL429797 | HY-100573A | SCHEMBL17509590 | DTXSID00364437 | MFCD02370191 | (E)-N-[4-[N-(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophene-2-yl)acrylamide | AC-37076 | (2E)-N-{4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl}-3-(5-nitrothiophen-2-yl)pr

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Necroptosis inhibitor. Blocks mixed lineage kinase domain-like protein (MLKL), a critical substrate of receptor-interacting serine-threonine kinase 3 (RIP3) during necrosis. Prevents MLKL-RIP1-RIP3 necrosome complex from interacting with downstream necros

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Pubchem Sid

488191969

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191969

Sourires canoniques

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

IUPAC Name

(E)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

InChIKey

FNPPHVLYVGMZMZ-XBXARRHUSA-N

INCHI

1S/C18H15N5O6S2/c1-29-18-17(19-10-11-20-18)22-31(27,28)14-6-2-12(3-7-14)21-15(24)8-4-13-5-9-16(30-13)23(25)26/h2-11H,1H3,(H,19,22)(H,21,24)/b8-4+

Isomères SMILES

COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

Poids moléculaire

461.47

Reaxy-Rn

30088938

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30088938&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: 2-nitrothiophenes Anilides Benzenesulfonyl compounds Nitroaromatic compounds N-arylamides Methoxypyrazines 2,5-disubstituted thiophenes Alkyl aryl ethers Organosulfonamides Imidolactams Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - 2-nitrothiophene - Nitrothiophene - Benzenesulfonyl group - Anilide - Nitroaromatic compound - N-arylamide - Methoxypyrazine - Alkyl aryl ether - 2,5-disubstituted thiophene - Organosulfonic acid amide - Imidolactam - Pyrazine - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiophene - Sulfonyl - Heteroaromatic compound - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Carboxamide group - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: 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: pyrazines - sulfonamide - thiophenes

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

Cibles associées (humaines)

HT-29 (80576 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 9.23, Max Conc. mM: 20
• Sensibilité: Light Sensitive,Air Sensitive,Heat Sensitive
• Point de fusion (°C): 257 °C(dec.)
• Poids moléculaire: 461.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 461.046 Da
• Monoisotopic Mass: 461.046 Da
• Topological Polar Surface Area: 193.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 760.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °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 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 1360614-48-7, the molecular formula is C18H15N5O6S2, and the molecular weight is 461.47 g/mol. InChIKey FNPPHVLYVGMZMZ-XBXARRHUSA-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.