Vindesine sulfate - 10mM in DMSO , CAS No.59917-39-4

CAS: 59917-39-4 Cat. No.: V424986 Fórmula: C₄₃H₅₅N₅O₇H₂SO₄ Peso molecular: 852.02 Número EC: 261-984-7 PubChem CID: 43116

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS015895863 | Vindesine (sulfate) | CAS-59917-39-4 | FILDESI | DTXSID0049074 | s2440 | Vindesine sulfate salt | CCG-101151 | DTXCID0029000 | VindesineSulfateSalt | CHEBI:32295 | HMS2052B03 | Vindesine sulfate salt hydrate | BV164524 | Desacetylvinblasti

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Vindesine sulfate is a vinca alkaloid derived from vinblastine. Vindesine sulfate is an inhibitor of Tubulin.

Specifications

Sinónimos

AKOS015895863 | Vindesine (sulfate) | CAS-59917-39-4 | FILDESI | DTXSID0049074 | s2440 | Vindesine sulfate salt | CCG-101151 | DTXCID0029000 | VindesineSulfateSalt | CHEBI:32295 | HMS2052B03 | Vindesine sulfate salt hydrate | BV164524 | Desacetylvinblasti

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

Pubchem Sid

528774145

Sonrisas canónicas

CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O

IUPAC Name

methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate;sulfuric acid

InChIKey

COFJBSXICYYSKG-FJFFLIEUSA-N

INCHI

1S/C43H55N5O7.H2O4S/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-47(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)54-4)46(3)35-41(28)15-18-48-16-10-14-40(7-2,34(41)48)36(49)43(35,53)37(44)50;1-5(2,3)4/h8-12,14,19-20,25,34-36,45,49,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H2,44,50);(H2,1,2,3,4)/t25-,34+,35-,36-,39+,40-,41-,42+,43+;/m1./s1

Isómeros SMILES

CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O.OS(=O)(=O)O

PubChem CID

43116

Peso molecular

852.02

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Vinca alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Vinca alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Vinca alkaloids
• Alternative Parents: Quinoline carboxamides Carbazoles 3-alkylindoles Anisoles Dialkylarylamines Alkyl aryl ethers Aralkylamines Piperidines Organic sulfuric acids N-alkylpyrrolidines Tertiary alcohols Pyrroles Heteroaromatic compounds Methyl esters 1,2-aminoalcohols Cyclic alcohols and derivatives Primary carboxylic acid amides Trialkylamines Secondary alcohols Amino acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Vinca alkaloid skeleton - Carbazole - Quinoline-6-carboxamide - 3-alkylindole - Indole - Indole or derivatives - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Sulfuric acid - Aralkylamine - Piperidine - Benzenoid - N-alkylpyrrolidine - Cyclic alcohol - Heteroaromatic compound - Organic sulfuric acid or derivatives - Pyrrole - Pyrrolidine - Tertiary alcohol - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - 1,2-aminoalcohol - Primary carboxylic acid amide - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as vinca alkaloids. These are alkaloids with a dimeric chemical structure composed of an indole nucleus (catharanthine), and a dihydroindole nucleus (vindoline), joined together.
• External Descriptors: alkaloid sulfate salt

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

Propiedades químicas y físicas

• Índice de refracción: n20D1.71 (Predicted)
• Punto de fusión (°C): >250° C
• Peso molecular: 852.000 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 851.378 Da
• Monoisotopic Mass: 851.378 Da
• Topological Polar Surface Area: 248.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 1650.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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: 2

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