WAY-620365 - ≥95% , CAS No.1164096-76-7

CAS: 1164096-76-7 Cat. No.: W417680 Summenformel: C₁₇H₂₀N₂O₅ Molekulargewicht: 332.35 PubChem CID: 2999202

GRADE & PURITY ≥95%

Synonyms

3-(2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)-5-isobutylimidazolidine-2,4-dione | SMR000063530 | MLS000081818

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

inhibitors of Mcl-1; altering the lifespan of a eukaryotic organism;

Specifications

Synonyme

3-(2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl)-5-isobutylimidazolidine-2,4-dione | SMR000063530 | MLS000081818

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

1.803

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

488194130

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194130

Kanonisches Lächeln

CC(C)CC1C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCCO3

IUPAC Name

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

InChIKey

OUJACPHZCVVYRK-UHFFFAOYSA-N

INCHI

1S/C17H20N2O5/c1-10(2)7-12-16(21)19(17(22)18-12)9-13(20)11-3-4-14-15(8-11)24-6-5-23-14/h3-4,8,10,12H,5-7,9H2,1-2H3,(H,18,22)

Isomere SMILES

CC(C)CC1C(=O)N(C(=O)N1)CC(=O)C2=CC3=C(C=C2)OCCO3

PubChem CID

2999202

Molekulargewicht

332.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azolidines
      • Subclass Imidazolidines
        • Ebene5 Imidazolidinones
          • Ebene6 Imidazolidinediones
            • Ebene7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Benzo-1,4-dioxanes Alpha amino acids and derivatives Aryl alkyl ketones N-acyl ureas Alkyl aryl ethers Para dioxins Benzenoids Dicarboximides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Ureide - N-acyl urea - Benzenoid - Para-dioxin - Dicarboximide - Ketone - Urea - Carbonic acid derivative - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• 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)

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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HepG2 (196354 Activities)

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MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)

Discover Target: MCL1

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

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

Discover Target: BRCA1

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

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

Discover Target: KDM4E

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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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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Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Plasmodium falciparum (966862 Activities)

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H4 (48 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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

Discover Target: Nfe2l2

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

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

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.

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

The CAS Number is 1164096-76-7, the molecular formula is C17H20N2O5, and the molecular weight is 332.35 g/mol. InChIKey OUJACPHZCVVYRK-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.