Norisoboldine - ≥98% , CAS No.23599-69-1

CAS: 23599-69-1 Cat. No.: N414332 Fórmula: C₁₈H₁₉NO₄ Peso molecular: 313.35 Número CE: 110-060-0

GRADE & PURITY ≥98%

Synonyms

(S)-(+)-Laurelliptine | BS-42172 | Norisoboldine, (+)- | AC-34581 | (+)-N-Norisoboldine | CCG-267616 | 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-, (S)- | Laurelliptine | 6aalpha-Noraporphine-1,9-diol, 2,10-dimethoxy- | s9092 |

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Norisoboldine Norisoboldine (Laurelliptine), a natural aryl hydrocarbon receptor (AhR) agonist, attenuates ulcerative colitis (UC) and induces the generation of Treg cells.

Specifications

Sinónimos

(S)-(+)-Laurelliptine | BS-42172 | Norisoboldine, (+)- | AC-34581 | (+)-N-Norisoboldine | CCG-267616 | 4H-Dibenzo[de,g]quinoline-1,9-diol, 5,6,6a,7-tetrahydro-2,10-dimethoxy-, (S)- | Laurelliptine | 6aalpha-Noraporphine-1,9-diol, 2,10-dimethoxy- | s9092 |

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Norisoboldine (Laurelliptine), a natural aryl hydrocarbon receptor (AhR) agonist, attenuates ulcerative colitis (UC) and induces the generation of Treg cells.

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.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504767665

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767665

Sorrisos canónicos

COC1=C(C2=C3C(CC4=CC(=C(C=C42)OC)O)NCCC3=C1)O

IUPAC Name

(6aS)-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,9-diol

InChIKey

HORZNQYQXBFWNZ-LBPRGKRZSA-N

INCHI

1S/C18H19NO4/c1-22-14-8-11-10(6-13(14)20)5-12-16-9(3-4-19-12)7-15(23-2)18(21)17(11)16/h6-8,12,19-21H,3-5H2,1-2H3/t12-/m0/s1

SMILES isoméricas

COC1=C(C2=C3[C@H](CC4=CC(=C(C=C42)OC)O)NCCC3=C1)O

Peso molecular

313.35

Reaxy-Rn

1550313

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1550313&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Aporphines

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Aporphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aporphines
• Alternative Parents: Phenanthrenes and derivatives Benzoquinolines Naphthols and derivatives Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aporphine - Benzoquinoline - Phenanthrene - 1-naphthol - Naphthalene - Tetrahydroisoquinoline - Quinoline - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Benzenoid - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.
• 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 (não humanos)

Mus musculus (284745 Activities)

Explore this target

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

EL4 (235 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 62 mg/mL (197.86 mM)
• Sensibilidade: Light sensitive
• Peso molecular: 313.300 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 313.131 Da
• Monoisotopic Mass: 313.131 Da
• Topological Polar Surface Area: 71.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 433.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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, 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 23599-69-1, the molecular formula is C18H19NO4, and the molecular weight is 313.35 g/mol. InChIKey HORZNQYQXBFWNZ-LBPRGKRZSA-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.