(+)-Isocorynoline - Moligand™,≥98% , CAS No.475-67-2

CAS: 475-67-2 Cat. No.: I414377 分子式: C₂₀H₂₃NO₄ 分子量: 341.4

GRADE & PURITY Moligand™, ≥98%

Synonyms

HMS3886N20 | L-(+)-Isocorydine | Luteanin | NCGC00016453-05 | d-Isocorydine | Luteanine (VAN) | TNP00260 | (+)-Isocorydin | (+)-Isocorydine | DTXSID201023580 | 6A-.ALPHA.-APORPHIN-11-OL, 1,2,10-TRIMETHOXY- | KBio2_006823 | NSC-32979 | Prestwick2_000597 |

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

(+)-Isocorynoline Isocorynoxeine, a major bioactive tetracyclic oxindole alkaloids found in Uncaria rhynchophylla , exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM and shows various beneficial effects, including lowering blood pressure, vasodilatation, and protection against ischemia-induced neuronal damage.

Specifications

同義語

HMS3886N20 | L-(+)-Isocorydine | Luteanin | NCGC00016453-05 | d-Isocorydine | Luteanine (VAN) | TNP00260 | (+)-Isocorydin | (+)-Isocorydine | DTXSID201023580 | 6A-.ALPHA.-APORPHIN-11-OL, 1,2,10-TRIMETHOXY- | KBio2_006823 | NSC-32979 | Prestwick2_000597 |

仕様と純度

Moligand™,≥98%

生化学的・生理学的メカニズム

Isocorynoxeine, a major bioactive tetracyclic oxindole alkaloids found in Uncaria rhynchophylla, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM and shows various beneficial effects, including lowe

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• パブケム・シド: 488181085
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488181085
• カノニカル・スマイル: CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC
• IUPAC Name: (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
• InChIKey: QELDJEKNFOQJOY-ZDUSSCGKSA-N
• INCHI: 1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
• 異性体SMILES: CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC
• 分子量: 341.4
• Reaxy-Rn: 94793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=94793&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 分類: 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-4-unsubstituted benzenoids Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aporphine - Benzoquinoline - Phenanthrene - 1-naphthol - Naphthalene - Quinoline - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• 説明: 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: Isoquinoline alkaloids

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

関連ターゲット（人間）

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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HepG2 (196354 Activities)

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KB (17409 Activities)

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HeLa (62764 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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GMNN Tbio Geminin (128009 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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MGC-803 (6426 Activities)

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関連ターゲット（非人間）

ampC Beta-lactamase AmpC (62480 Activities)

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Staphylococcus aureus (210822 Activities)

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Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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lef Anthrax lethal factor (7585 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 32 mg/mL (93.73 mM)
• 感度: Light sensitive
• 分子量: 341.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 341.163 Da
• Monoisotopic Mass: 341.163 Da
• Topological Polar Surface Area: 51.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 475.000
• 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