WAY-619359 - 10mM in DMSO , CAS No.736168-04-0

CAS: 736168-04-0 Cat. No.: W425742 Summenformel: C₂₂H₂₃N₃O₃ Molekulargewicht: 377.44 PubChem CID: 5214340

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

JAMM protease inhibitor

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Produkteigenschaften

ALogP

2.463

HBD-Zahl

2

Rotationsfähige Bindung

4

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)C4=CC=CC=C4

IUPAC Name

5-benzoyl-6-methyl-4-(4-morpholin-4-ylphenyl)-3,4-dihydro-1H-pyrimidin-2-one

InChIKey

JGEBSSTWEFAKAN-UHFFFAOYSA-N

INCHI

1S/C22H23N3O3/c1-15-19(21(26)17-5-3-2-4-6-17)20(24-22(27)23-15)16-7-9-18(10-8-16)25-11-13-28-14-12-25/h2-10,20H,11-14H2,1H3,(H2,23,24,27)

Isomere SMILES

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)N3CCOCC3)C(=O)C4=CC=CC=C4

PubChem CID

5214340

Molekulargewicht

377.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmorpholines
• Alternative Parents: Dialkylarylamines Benzoyl derivatives Aryl ketones Aniline and substituted anilines Pyrimidones Hydropyrimidines Vinylogous amides Ureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Benzenoid - Pyrimidine - Vinylogous amide - Urea - Tertiary amine - Ketone - Carbonic acid derivative - Azacycle - Oxacycle - Dialkyl ether - Ether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
• 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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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

Discover Target: EHMT2

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

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PSMD14 Tchem 26S proteasome non-ATPase regulatory subunit 14 (475 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

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Plasmodium falciparum (966862 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10