DFP00173 - Moligand™, ≥98% , CAS No.672286-03-2

CAS: 672286-03-2 Cat. No.: D647514 Fórmula: C₁₁H₇Cl₂N₃O₃S Peso molecular: 332.16 PubChem CID: 2806296

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXSID701329723 | N-(2,6-dichlorophenyl)-N'-(5-nitro-3-thienyl)urea | MLS000851390 | CCG-242921 | AKOS040732960 | HY-126073 | MS-24996 | SMR000457833 | HMS2783C13 | DFP00173 | 1-(2,6-dichlorophenyl)-3-(5-nitrothiophen-3-yl)urea

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

DFP00173 is a potent and selective aquaporin-3 (AQP3) inhibitor. DFP00173 inhibits mouse and human AQP3 with an IC 50 of ∼0.1-0.4 μM. DFP00173 is selective for AQP3 over the homologous AQP isoforms AQP7 and AQP9.

In Vitro

DFP00173 inhibits the glycerol permeability of human erythrocytes with an IC 50 of ~0.2 µM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

DTXSID701329723 | N-(2,6-dichlorophenyl)-N'-(5-nitro-3-thienyl)urea | MLS000851390 | CCG-242921 | AKOS040732960 | HY-126073 | MS-24996 | SMR000457833 | HMS2783C13 | DFP00173 | 1-(2,6-dichlorophenyl)-3-(5-nitrothiophen-3-yl)urea

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

DFP00173 is a potent and selective aquaporin-3 (AQP3) inhibitor. DFP00173 inhibits mouse and human AQP3 with an IC 50 of ∼0.1-0.4 μM. DFP00173 is selective for AQP3 over the homologous AQP isoforms AQP7 and AQP9.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=C(C(=C1)Cl)NC(=O)NC2=CSC(=C2)[N+](=O)[O-])Cl

IUPAC Name

1-(2,6-dichlorophenyl)-3-(5-nitrothiophen-3-yl)urea

InChIKey

AATXXTHMITUAOJ-UHFFFAOYSA-N

INCHI

1S/C11H7Cl2N3O3S/c12-7-2-1-3-8(13)10(7)15-11(17)14-6-4-9(16(18)19)20-5-6/h1-5H,(H2,14,15,17)

SMILES isoméricas

C1=CC(=C(C(=C1)Cl)NC(=O)NC2=CSC(=C2)[N+](=O)[O-])Cl

CAS alternativo

672286-03-2

PubChem CID

2806296

Peso molecular

332.16

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: 2-nitrothiophenes Nitroaromatic compounds Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Ureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Urea - Organic nitro compound - C-nitro compound - Carbonic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen 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)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

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

Discover Target: Nfe2l2

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 100 mg/mL (301.06 mM)
• Peso molecular: 332.200 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 330.959 Da
• Monoisotopic Mass: 330.959 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 372.000
• 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