CIL 62 - ≥98% , CAS No.117593-36-9

CAS: 117593-36-9 Cat. No.: C412617 Formule: C₂₃H₂₆O₅ Poids moléculaire: 382.45

GRADE & PURITY ≥98%

Synonyms

9-(2,4-DI-HO-PH)3,3,6,6-TETRA-ME-3,4,5,6,7,9-HEXAHYDRO-1H-XANTHENE-1,8(2H)-DIONE

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

CIL62 is an inducer of caspase-3/7-independent cell death. The mechanism of action of CIL62 is Necrostatin-1 dependent cell death.

Specifications

Synonymes

9-(2,4-DI-HO-PH)3,3,6,6-TETRA-ME-3,4,5,6,7,9-HEXAHYDRO-1H-XANTHENE-1,8(2H)-DIONE

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

CIL62 is an inducer of caspase-3/7-independent cell death. The mechanism of action of CIL62 is Necrostatin-1 dependent cell death.

Conditions de stockage de stockage

Store at -20°C

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.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=C(C=C4)O)O)C(=O)C1)C
• IUPAC Name: 9-(2,4-dihydroxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
• InChIKey: OKXVTYXMGOFJFT-UHFFFAOYSA-N
• INCHI: 1S/C23H26O5/c1-22(2)8-15(26)20-17(10-22)28-18-11-23(3,4)9-16(27)21(18)19(20)13-6-5-12(24)7-14(13)25/h5-7,19,24-25H,8-11H2,1-4H3
• Isomères SMILES: CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=C(C=C(C=C4)O)O)C(=O)C1)C
• Poids moléculaire: 382.45
• Reaxy-Rn: 355047
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=355047&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Resorcinols
• Alternative Parents: Cyclohexenones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrans Benzene and substituted derivatives Vinylogous esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Monocyclic benzene moiety - Pyran - Vinylogous ester - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO: 10 mg/mL (26.15 mM)
• Poids moléculaire: 382.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 382.178 Da
• Monoisotopic Mass: 382.178 Da
• Topological Polar Surface Area: 83.800 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 733.000
• 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

Foire aux questions

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 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.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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

The CAS Number is 117593-36-9, the molecular formula is C23H26O5, and the molecular weight is 382.45 g/mol. InChIKey OKXVTYXMGOFJFT-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.