(-)-Securinin - ≥98%(HPLC) , CAS No.5610-40-2

CAS: 5610-40-2 Cat. No.: S134493 Fórmula: C₁₃H₁₅NO₂ Peso molecular: 217.26 Número CE: 694-738-6

GRADE & PURITY ≥98%(HPLC)

Synonyms

Securininum [INN-Latin] | (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0^{1,11}.0^{2,7}]pentadeca-9,11-dien-13-one | (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one | SPBio_000737 | 1-Methyl-5H-pyrido[3,4-b]indol-1-amine, 9CI | KB

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

(-)-Securinine is plant-derived alkaloid and also a GABAA receptor antagonist.

Specifications

Sinónimos

Securininum [INN-Latin] | (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.0^{1,11}.0^{2,7}]pentadeca-9,11-dien-13-one | (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one | SPBio_000737 | 1-Methyl-5H-pyrido[3,4-b]indol-1-amine, 9CI | KB

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 488189798
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189798
• Sorrisos canónicos: C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4
• IUPAC Name: (1S,2R,8S)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
• InChIKey: SWZMSZQQJRKFBP-WZRBSPASSA-N
• INCHI: 1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m1/s1
• SMILES isoméricas: C1CCN2[C@H](C1)[C@]34C[C@H]2C=CC3=CC(=O)O4
• WGK Alemanha: 3
• RTECS: VS4115000
• Peso molecular: 217.26
• Reaxy-Rn: 1078773
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1078773&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indolizidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indolizidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolizidines
• Alternative Parents: Azepines Piperidines N-alkylpyrrolidines Butenolides Enoate esters Trialkylamines Lactones Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Indolizidine - Azepine - 2-furanone - Piperidine - N-alkylpyrrolidine - Dihydrofuran - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.
• External Descriptors: indolizines

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)

TOP1 Tclin DNA topoisomerase I (7553 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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A-375 (9258 Activities)

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HL-60 (67320 Activities)

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MCF7 (126967 Activities)

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SK-MEL-2 (46422 Activities)

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SK-OV-3 (52876 Activities)

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A549 (127892 Activities)

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HCT-116 (91556 Activities)

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KB (17409 Activities)

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HCT-15 (51914 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 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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Alvos associados (não humanos)

Abcb1b P-glycoprotein 1 (174 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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L1210 (27553 Activities)

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C6 (2371 Activities)

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BV-2 (3710 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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BCHE Cholinesterase (8742 Activities)

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Plasma (328 Activities)

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Topoisomerase I (119 Activities)

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Liver microsome (341 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 217.260 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 217.11 Da
• Monoisotopic Mass: 217.11 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 426.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5610-40-2, the molecular formula is C13H15NO2, and the molecular weight is 217.26 g/mol. InChIKey SWZMSZQQJRKFBP-WZRBSPASSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.