Tabersonine - ≥95%(HPLC) , CAS No.4429-63-4

CAS: 4429-63-4 Cat. No.: T170381 Fórmula: C₂₁H₂₄N₂O₂ Peso molecular: 336.43 Número CE: 224-615-0 PubChem CID: 20485

GRADE & PURITY ≥95%(HPLC)

Synonyms

ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 2,3,6,7-TETRADEHYDRO-, METHYL ESTER, (5.ALPHA.,12R,19.ALPHA.)- | Tabersonin | Q21099578 | methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate | Tabersonine | 4-25-00-00997 (Beilstein Handboo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

ASPIDOSPERMIDINE-3-CARBOXYLIC ACID, 2,3,6,7-TETRADEHYDRO-, METHYL ESTER, (5.ALPHA.,12R,19.ALPHA.)- | Tabersonin | Q21099578 | methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate | Tabersonine | 4-25-00-00997 (Beilstein Handboo

Especificações e pureza

≥95%(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

≥95%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504752982
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752982
• Sorrisos canónicos: CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC
• IUPAC Name: methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
• InChIKey: FNGGIPWAZSFKCN-ACRUOGEOSA-N
• INCHI: 1S/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3/t19-,20-,21-/m0/s1
• SMILES isoméricas: CC[C@]12CC(=C3[C@@]4([C@H]1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC
• PubChem CID: 20485
• Peso molecular: 336.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Plumeran-type alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Plumeran-type alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Plumeran-type alkaloids
• Alternative Parents: Carbazoles Indolines Secondary alkylarylamines Aralkylamines N-alkylpyrrolidines Benzenoids Methyl esters Enoate esters Vinylogous amides Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Plumeran-type alkaloid - Carbazole - Indole or derivatives - Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Enamine - Monocarboxylic acid or derivatives - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as plumeran-type alkaloids. These are alkaloids with a structure based on the plumeran skeleton. Plumeran is a pentacyclic compound that consists of a pyrrolidine ring shed to the quinoline moiety of pyrido[3,2-c]carbazole ring system.
• External Descriptors: Indole 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)

HL-60 (67320 Activities)

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MCF7 (126967 Activities)

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SW480 (6023 Activities)

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A549 (127892 Activities)

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MDA-MB-231 (73002 Activities)

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SMMC-7721 (5516 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility 2 mg/ml in DMSO or DMF; soluble (slightly) in ethanol
• Peso molecular: 336.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 336.184 Da
• Monoisotopic Mass: 336.184 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 669.000
• 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 ≥95% 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 4429-63-4, the molecular formula is C21H24N2O2, and the molecular weight is 336.43 g/mol. InChIKey FNGGIPWAZSFKCN-ACRUOGEOSA-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.