CIL 62 - ≥98% , CAS No.117593-36-9

CAS: 117593-36-9 Cat. No.: C412617 Summenformel: C₂₃H₂₆O₅ Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere 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
• Molekulargewicht: 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
    • Klasse Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

VDR Tclin Vitamin D receptor (26531 Activities)

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AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

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GLB1 Tchem Beta-galactosidase (339 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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COLO 205 (50209 Activities)

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IMR-32 (1082 Activities)

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K562 (73714 Activities)

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HepG2 (196354 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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GMNN Tbio Geminin (128009 Activities)

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microRNA 21 (64692 Activities)

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

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

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WRN Tbio Werner syndrome ATP-dependent helicase (8824 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Plasmodium falciparum (966862 Activities)

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INS1 (2867 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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ddn Putative uncharacterized protein (49 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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bla(tem-2) Beta Lactamase (819 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO: 10 mg/mL (26.15 mM)
• Molekulargewicht: 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

Häufig gestellte Fragen

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.