TY-52156 - Moligand™, ≥98% , Antagonist of S1P 3 receptor, CAS No.934369-14-9, Antagonist of S1P 3 receptor

CAS: 934369-14-9 Cat. No.: T275451 Fórmula: C₁₈H₁₉Cl₂N₃O Peso molecular: 364.27 PubChem CID: 16046248

GRAU & PUREZA Moligand™, ≥98%

Synonyms

N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide | SCHEMBL16765243 | SCHEMBL20927271 | AKOS040742792 | 1-(4-chlorophenylamino)-1-(4-chlorophenylhydrazono)-3,3-dimethyl-2-butanone | E73429 | N-(4-Chlorophenyl)-3,3-dimethyl-2-oxobuta

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Shipped at 4°C. Store at -20°C long term. Store In the Dark.

Product description：

TY-52156 is a potent and selective S1P3 receptor antagonist with a Ki value of 110 nM。

Especificações

Sinónimos

N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide | SCHEMBL16765243 | SCHEMBL20927271 | AKOS040742792 | 1-(4-chlorophenylamino)-1-(4-chlorophenylhydrazono)-3,3-dimethyl-2-butanone | E73429 | N-(4-Chlorophenyl)-3,3-dimethyl-2-oxobuta

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Novel S1P3 receptor antagonist (Ki = 110 nM). It preferentially inhibits the S1P-induced increase inintracellular calcium in Chinese hamster ovary cells expressing S1P3 over cell expressing S1P1, S1P2, or S1P4.

Condições de armazenamento de armazenamento

Protected from light,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™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of S1P 3 receptor

Nota

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504768012

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768012

Sorrisos canónicos

CC(C)(C)C(=O)C(=NC1=CC=C(C=C1)Cl)NNC2=CC=C(C=C2)Cl

IUPAC Name

N-(4-chloroanilino)-N'-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide

InChIKey

XONRRGIRSGNWFP-UHFFFAOYSA-N

INCHI

1S/C18H19Cl2N3O/c1-18(2,3)16(24)17(21-14-8-4-12(19)5-9-14)23-22-15-10-6-13(20)7-11-15/h4-11,22H,1-3H3,(H,21,23)

SMILES isoméricas

CC(C)(C)C(=O)C(=NC1=CC=C(C=C1)Cl)NNC2=CC=C(C=C2)Cl

PubChem CID

16046248

Peso molecular

364.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Chlorobenzenes Aryl chlorides Ketones Amidrazones Propargyl-type 1,3-dipolar organic compounds Amidines Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylhydrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid amidrazone - Ketone - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl 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)

S1PR3 Tclin Sphingosine 1-phosphate receptor 3 (1 Activities)

Discover Target: S1PR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to\xa075 mM and in\xa0Ethanol to\xa075 mM
• Peso molecular: 364.300 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 363.091 Da
• Monoisotopic Mass: 363.091 Da
• Topological Polar Surface Area: 53.500 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 446.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 934369-14-9, the molecular formula is C18H19Cl2N3O, and the molecular weight is 364.27 g/mol. InChIKey XONRRGIRSGNWFP-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.