R243 - ≥98% , CAS No.688352-84-3

CAS: 688352-84-3 Cat. No.: R412971 Fórmula: C₂₁H₂₇NO₄ Peso molecular: 357.44 PubChem CID: 2962888

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

R243 R243 is an inhibitor of Chemokine (C-C motif) receptor 8 (CCR8) signaling and chemotaxis.

Targets

CCR8

Specifications

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

R243 is an inhibitor of Chemokine (C-C motif) receptor 8 (CCR8) signaling and chemotaxis.

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.

Pureza

≥98%

Propriedades do produto

• ALogP: 3.468
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 504762261
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762261
• Sorrisos canónicos: C1C2CC3CC1CC(C2)(C3)OCCN4CC5=CC6=C(C=C5OC4)OCO6
• IUPAC Name: 7-[2-(1-adamantyloxy)ethyl]-6,8-dihydro-[1,3]dioxolo[4,5-g][1,3]benzoxazine
• InChIKey: JJMLDSFDOODCIR-UHFFFAOYSA-N
• INCHI: 1S/C21H27NO4/c1(2-26-21-8-14-3-15(9-21)5-16(4-14)10-21)22-11-17-6-19-20(25-13-24-19)7-18(17)23-12-22/h6-7,14-16H,1-5,8-13H2
• SMILES isoméricas: C1C2CC3CC1CC(C2)(C3)OCCN4CC5=CC6=C(C=C5OC4)OCO6
• PubChem CID: 2962888
• Peso molecular: 357.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzoxazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazines
• Alternative Parents: Benzodioxoles Benzenoids Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazine - Benzodioxole - Benzenoid - Oxacycle - Azacycle - Ether - Dialkyl ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
• 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 71 mg/mL (198.63 mM); Ethanol: 35 mg/mL (97.91 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 71
• DMSO (mM) Solubilidade máxima: 198.634735899731
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 357.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 357.194 Da
• Monoisotopic Mass: 357.194 Da
• Topological Polar Surface Area: 40.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 499.000
• 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.

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 688352-84-3, the molecular formula is C21H27NO4, and the molecular weight is 357.44 g/mol. InChIKey JJMLDSFDOODCIR-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.