(-)-Lupinine - ≥95% , CAS No.486-70-4

CAS: 486-70-4 Cat. No.: L335482 Fórmula: C₁₀H₁₉NO Peso molecular: 169.26 Beilstein Registry Number: 80447 Número CE: 207-638-0

GRADE & PURITY ≥95%

Synonyms

(1R-trans)-Octahydro-2H-quinolizine-1-methanol | 2-(1-Piperazino)pyridine-5-carbonitrile | Maybridge1_003698 | BRD-K45978015-001-03-6 | BRN 0080447 | F77309 | Maybridge1_003297 | (trans-Octahydro-1H-quinolizin-1-yl)methanol | DivK1c_006702 | HMS1922N13 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

Lupinine is an alkaloid isolate from|Anabisis aphylla|capable of counteracting the effects of ethanol anesthesia.

Specifications

Sinónimos

(1R-trans)-Octahydro-2H-quinolizine-1-methanol | 2-(1-Piperazino)pyridine-5-carbonitrile | Maybridge1_003698 | BRD-K45978015-001-03-6 | BRN 0080447 | F77309 | Maybridge1_003297 | (trans-Octahydro-1H-quinolizin-1-yl)methanol | DivK1c_006702 | HMS1922N13 |

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥95%

Propriedades do produto

• pKa: pKa: 10.12 (Predicted)

Nomes e identificadores

• Sorrisos canónicos: C1CCN2CCCC(C2C1)CO
• IUPAC Name: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
• InChIKey: HDVAWXXJVMJBAR-VHSXEESVSA-N
• INCHI: 1S/C10H19NO/c12-8-9-4-3-7-11-6-2-1-5-10(9)11/h9-10,12H,1-8H2/t9-,10+/m0/s1
• SMILES isoméricas: C1CCN2CCC[C@H]([C@H]2C1)CO
• WGK Alemanha: 3
• RTECS: OK5802000
• Peso molecular: 169.26
• Beilstein: 80447
• Reaxy-Rn: 106825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106825&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Lupin alkaloids
      • Subclass Lupinine-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Lupin alkaloids
• Subclass: Lupinine-type alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Lupinine-type alkaloids
• Alternative Parents: Quinolizines Quinolizidines Piperidines 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Lupinine - Quinolizidine - Quinolizine - Piperidine - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as lupinine-type alkaloids. These are lupin alkaloids with a structure based on the lupinine skeleton, which is a bicyclic compound consisting of a quinolizidine.
• External Descriptors: Quinolizidine 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

Alvos associados (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

HL (112 Activities)

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

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

Discover Target: SLCO1B1

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

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

Discover Target: SLCO1B3

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

Alvos associados (não humanos)

Chlamydia pneumoniae (241 Activities)

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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 water, alcohol, chloroform, and ether.
• Índice de refração: n20D1.53 (Predicted)
• Rotação específica [α]: α20/D -26°, c = 3 in water
• Ponto de ebulição (°C): 160-164° C at 4 mmHg
• Ponto de fusão (°C): 62-66° C
• Peso molecular: 169.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 169.147 Da
• Monoisotopic Mass: 169.147 Da
• Topological Polar Surface Area: 23.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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