Supercinnamaldehyde - Moligand™,≥98% , CAS No.70351-51-8

CAS: 70351-51-8 Cat. No.: S275603 Summenformel: C₁₂H₁₁NO₂ Molekulargewicht: 201.22 EG-Nummer: 635-329-4 PubChem CID: 12480412

GRADE & PURITY Moligand™, ≥98%

Synonyms

(3Z)-1-methyl-3-(2-oxopropylidene)-2,3-dihydro-1H-indol-2-one | LP00237 | NCGC00185999-01 | HMS3260P15 | supercinnamaldehyde | SCHEMBL1078805 | 1-methyl-3-(2-oxopropylidene)indolin-2-one | NCGC00185999-04 | HY-121539 | NCGC00185999-03 | Tox21_500237 | (3Z

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Übersicht

Supercinnamaldehyde is a potent transient receptor potential ankyrin 1 (TRPA1) activator with an EC50 value of 0.8 μM. Supercinnamaldehyde activates TRPA1 ion channels through covalent modification of cysteines.

Specifications

Synonyme

(3Z)-1-methyl-3-(2-oxopropylidene)-2,3-dihydro-1H-indol-2-one | LP00237 | NCGC00185999-01 | HMS3260P15 | supercinnamaldehyde | SCHEMBL1078805 | 1-methyl-3-(2-oxopropylidene)indolin-2-one | NCGC00185999-04 | HY-121539 | NCGC00185999-03 | Tox21_500237 | (3Z

Spezifikationen & Reinheit

Moligand™,≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

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

Note

Moligand™

Aktionsart

ACTIVATOR

Hinweis

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.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC(=O)C=C1C2=CC=CC=C2N(C1=O)C

IUPAC Name

(3Z)-1-methyl-3-(2-oxopropylidene)indol-2-one

InChIKey

CZKBLHCEDVWPRN-YFHOEESVSA-N

INCHI

1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7-

Isomere SMILES

CC(=O)/C=C\1/C2=CC=CC=C2N(C1=O)C

WGK Deutschland

3

PubChem CID

12480412

Molekulargewicht

201.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles and derivatives
• Alternative Parents: Benzenoids Tertiary carboxylic acid amides Enones Acryloyl compounds Lactams Ketones Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole or derivatives - Benzenoid - Acryloyl-group - Enone - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole 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

Zugehörige Ziele (menschlich)

VDR Tclin Vitamin D receptor (26531 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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SH-SY5Y (11521 Activities)

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HEK293 (82097 Activities)

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

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SNCA Tchem Alpha-synuclein (10960 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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Zugehörige Ziele (nicht menschlich)

Saccharomyces cerevisiae (19171 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO
• Empfindlichkeit: Moisture sensitive
• Molekulargewicht: 201.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 201.079 Da
• Monoisotopic Mass: 201.079 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 333.000
• 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