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

CAS: 59917-39-4 Cat. No.: V424986 분자식: C₄₃H₅₅N₅O₇H₂SO₄ 분자량: 852.02 EC 번호: 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

개요

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

Specifications

동의어

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

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid

528774145

정식 스마일

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

이성체 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

분자량

852.02

Taxonomic Classification

Taxonomy Tree

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

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

화학 및 물리적 특성

• 굴절률: n20D1.71 (Predicted)
• 녹는점(°C): >250° C
• 분자량: 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

XLogP3