Imperialine - ≥98% , CAS No.61825-98-7

CAS: 61825-98-7 Cat. No.: I304167 Fórmula: C₂₇H₄₃NO₃ Peso molecular: 429.64 Número CE: 110-089-9

GRADE & PURITY ≥98%

Synonyms

Q17107392 | CHEBI:184104 | (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one | CCG-269000 | NSC-282170 | Imperialin | Imperialine | (3-beta,5-alpha,17-beta)-3,

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Visão geral

Product description

Sipeimine is a natural product isolated from Fritillaria ussuriensis.

Specifications

Sinónimos

Q17107392 | CHEBI:184104 | (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one | CCG-269000 | NSC-282170 | Imperialin | Imperialine | (3-beta,5-alpha,17-beta)-3,

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Desiccated

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: 488189799
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189799
• Sorrisos canónicos: CC1CCC2C(C3CCC4C(C3CN2C1)CC5C4CC(=O)C6C5(CCC(C6)O)C)(C)O
• IUPAC Name: (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
• InChIKey: IQDIERHFZVCNRZ-LRCDAWNTSA-N
• INCHI: 1S/C27H43NO3/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2/h15-23,25,29,31H,4-14H2,1-3H3/t15-,16-,17+,18+,19-,20-,21+,22-,23+,25-,26+,27-/m0/s1
• SMILES isoméricas: C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O
• Peso molecular: 429.64
• Reaxy-Rn: 40284069
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40284069&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Steroidal alkaloids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Steroidal alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Cerveratrum-type alkaloids
• Alternative Parents: Azasteroids and derivatives Quinolizidines Alkaloids and derivatives Piperidines Tertiary alcohols Trialkylamines Secondary alcohols Ketones Cyclic alcohols and derivatives 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Cerveratrum-type alkaloid - Azasteroid - Quinolizidine - Alkaloid or derivatives - Piperidine - Cyclic alcohol - Tertiary alcohol - Ketone - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cerveratrum-type alkaloids. These are steroidal alkaloids containing the cevane (23-methyl-4- azahexacyclo[12.11.0.0^{2,11}.0^{4,9}.0^{15,24}.0^{18,23}]pentacosane) moiety, which is a six ring system. Cerveratrum alkaloids have 7-9 oxygen atoms and occur as free alkamines or esters of simple aliphatic or aromatic acids.
• 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 (humanos)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Alvos associados (não humanos)

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

• Índice de refração: 1.585
• Ponto de inflamação (°C): 296.8ºC
• Ponto de ebulição (°C): 567.1ºC at 760 mmHg
• Peso molecular: 429.600 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 429.324 Da
• Monoisotopic Mass: 429.324 Da
• Topological Polar Surface Area: 60.800 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 755.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• 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