SCD1 Inhibitor (DMSO solution) - ≥99% , CAS No.1032229-33-6

CAS: 1032229-33-6 Cat. No.: S275819 Fórmula: C₂₀H₂₂ClN₃O₃ Peso molecular: 387.86 PubChem CID: 24905400

GRADE & PURITY ≥99%

Synonyms

BDBM50261716 | C71136 | AKOS022179820 | 1032229-33-6 | SCHEMBL14554165 | BCP27670 | DTXSID40648006 | 1-Piperidinecarboxamide,4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]- | FT-0741571 | SCD inhibitor | A939572 | A-939572 | HY-50709 | stearoyl-C

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Visão geral

Store at -20°C. Store In the Dark. Store under desiccating conditions. This product is air and light sensitive and impurities can occur as a result of air oxidation or due to metabolism by microbes.

Specifications

Sinónimos

BDBM50261716 | C71136 | AKOS022179820 | 1032229-33-6 | SCHEMBL14554165 | BCP27670 | DTXSID40648006 | 1-Piperidinecarboxamide,4-(2-chlorophenoxy)-N-[3-[(methylamino)carbonyl]phenyl]- | FT-0741571 | SCD inhibitor | A939572 | A-939572 | HY-50709 | stearoyl-C

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Potent, selective SCD1 (stearoyl-CoA desaturase 1) inhibitor (IC 50 = 4.5 nM). Inhibits the conversion of saturated, long-chain fatty acyl-CoAs to monounsaturated, long-chain fatty acyl-CoAs in vitro , when heptadecanoic acid and palmitic acid are used as

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nota

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.

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CNC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)OC3=CC=CC=C3Cl

IUPAC Name

4-(2-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

InChIKey

DPYTYQFYDLYWHZ-UHFFFAOYSA-N

INCHI

1S/C20H22ClN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)

SMILES isoméricas

CNC(=O)C1=CC(=CC=C1)NC(=O)N2CCC(CC2)OC3=CC=CC=C3Cl

PubChem CID

24905400

Peso molecular

387.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Benzamides Piperidinecarboxamides Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Ureas Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Benzamide - Piperidinecarboxamide - 1-piperidinecarboxamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Piperidine - Urea - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• 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

Alvos associados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

CYB5A Tbio Cytochrome b5 (5 Activities)

Discover Target: CYB5A

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

Liver (3974 Activities)

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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

Scd1 Acyl-CoA desaturase 1 (506 Activities)

Discover Target: Scd1

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Plasma (328 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Supplied in DMSO (10 mM)
• Sensibilidade: air and light sensitive
• Peso molecular: 387.900 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 387.135 Da
• Monoisotopic Mass: 387.135 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 511.000
• 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