(-)-Lupinine - ≥95% , CAS No.486-70-4

CAS: 486-70-4 Cat. No.: L335482 Formule: C₁₀H₁₉NO Poids moléculaire: 169.26 Beilstein Registry Number: 80447 Numéro 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

Vue d’ensemble

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

Specifications

Synonymes

(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 |

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Propriétés du produit

pKa

pKa: 10.12 (Predicted)

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

C1CCN2CCC[C@H]([C@H]2C1)CO

WGK Allemagne

3

RTECS

OK5802000

Poids moléculaire

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
• Description: 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

Cibles associées (humaines)

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)

Explore this target

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

Cibles associées (non humaines)

Chlamydia pneumoniae (241 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water, alcohol, chloroform, and ether.
• Indice de réfraction: n20D1.53 (Predicted)
• Rotation spécifique [α]: α20/D -26°, c = 3 in water
• Point d'ébullition (°C): 160-164° C at 4 mmHg
• Point de fusion (°C): 62-66° C
• Poids moléculaire: 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