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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino 10-Aminocamptothecin , CAS No.86639-63-6
Synonyms
10-Aminocamptothecin | Camptothecin, 10-amino- | (19S)-7-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione | (4S)-9-Amino-4-ethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizin
Specifiche Sinonimi
10-Aminocamptothecin | Camptothecin, 10-amino- | (19S)-7-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione | (4S)-9-Amino-4-ethyl-4-hydroxy-1H-pyrano(3',4':6,7)indolizin
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto Nomi e identificatori Sorrisi canonici
CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O
IUPAC Name
(19S)-7-amino-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
InChIKey
MVUUMBZAHAKPKQ-FQEVSTJZSA-N
INCHI
1S/C20H17N3O4/c1-2-20(26)14-7-16-17-11(5-10-6-12(21)3-4-15(10)22-17)8-23(16)18(24)13(14)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1
Isomeri SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O
Dati avanzati Taxonomic Classification Kingdom Organic compounds Superclass Alkaloids and derivatives Classe Camptothecins Subclass Not available Intermediate Tree Nodes Not available Direct Parent Camptothecins Alternative Parents Aminoquinolines and derivatives Pyranopyridines Pyridinones Benzenoids Tertiary alcohols Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactones Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Primary amines Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Camptothecin - Aminoquinoline - Pyranopyridine - Quinoline - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring). 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 363.400 g/mol XLogP3 0.300 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 1 Exact Mass 363.122 Da Monoisotopic Mass 363.122 Da Topological Polar Surface Area 106.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 775.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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
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