WAY-625138 - ≥95% , CAS No.756865-61-9

CAS: 756865-61-9 Cat. No.: W418404 Summenformel: C₂₁H₃₀N₂O₅S Molekulargewicht: 422.5383 PubChem CID: 5967303

GRADE & PURITY ≥95%

Synonyms

2-Propenamide, N-cycloheptyl-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

MicroRNA modulators

Specifications

Synonyme

2-Propenamide, N-cycloheptyl-3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥95%

Produkteigenschaften

ALogP

2.608

HBD-Zahl

1

Rotationsfähige Bindung

6

Namen und Kennungen

Pubchem Sid

528768253

Kanonisches Lächeln

COC1=C(C=C(C=C1)C=CC(=O)NC2CCCCCC2)S(=O)(=O)N3CCOCC3

IUPAC Name

(E)-N-cycloheptyl-3-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

InChIKey

PARIQLKLGNMTST-PKNBQFBNSA-N

INCHI

1S/C21H30N2O5S/c1-27-19-10-8-17(9-11-21(24)22-18-6-4-2-3-5-7-18)16-20(19)29(25,26)23-12-14-28-15-13-23/h8-11,16,18H,2-7,12-15H2,1H3,(H,22,24)/b11-9+

Isomere SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC2CCCCCC2)S(=O)(=O)N3CCOCC3

PubChem CID

5967303

Molekulargewicht

422.5383

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acid amides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid amides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Styrenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organosulfonamides Morpholines Sulfonyls Secondary carboxylic acid amides Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid amide - Benzenesulfonamide - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Morpholine - Oxazinane - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

Discover Target: RAB9A

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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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Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10