(-)-Lupinine - ≥95% , CAS No.486-70-4

CAS: 486-70-4 Cat. No.: L335482 분자식: C₁₀H₁₉NO 분자량: 169.26 Beilstein Registry Number: 80447 EC 번호: 207-638-0

등급 & 순도 ≥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

개요

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

사양

동의어

(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 |

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

제품 특성

pKa

pKa: 10.12 (Predicted)

이름과 식별자

정식 스마일

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

이성체 SMILES

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

WGK 독일

3

RTECS

OK5802000

분자량

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
    • 분류 Lupin alkaloids
      • Subclass Lupinine-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water, alcohol, chloroform, and ether.
• 굴절률: n20D1.53 (Predicted)
• 특정 회전[α]: α20/D -26°, c = 3 in water
• 끓는점(°C): 160-164° C at 4 mmHg
• 녹는점(°C): 62-66° C
• 분자량: 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