INNO-206 - ≥98% , DNA topoisomerase II alpha inhibitor, CAS No.1361644-26-9, DNA topoisomerase II alpha inhibitor

CAS: 1361644-26-9 Cat. No.: I125675 Peso molecular: 750.75 Número EC: 813-952-4

GRADE & PURITY ≥98%

Synonyms

AKOS030526452 | 1H-PYRROLE-1-HEXANOIC ACID, 2,5-DIHYDRO-2,5-DIOXO-, (1-(4-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1,2,3,4,6,11-HEXAHYDRO-2,5,12-TRIHYDROXY-7-METHOXY-6,11-DIOXO-2-NAPHTHACENYL)-2-HYDROXYETHYLIDENE)HYDRAZIDE, (2S-CIS)- | M

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

AKOS030526452 | 1H-PYRROLE-1-HEXANOIC ACID, 2, 5-DIHYDRO-2, 5-DIOXO-, (1-(4-((3-AMINO-2, 3, 6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-1, 2, 3, 4, 6, 11-HEXAHYDRO-2, 5, 12-TRIHYDROXY-7-METHOXY-6, 11-DIOXO-2-NAPHTHACENYL)-2-HYDROXYETHYLIDENE)HYDRAZIDE, (2S-CIS)- | M

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

INNO-206 (Aldoxorubicin) is the 6-maleimidocaproyl hydrazone derivative prodrug of the anthracycline antibiotic doxorubicin (DOXO-EMCH) with antineoplastic activity. Following intravenous administration, doxorubicin prodrug INNO-206 binds

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

DNA topoisomerase II alpha inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 1.3

Nombres e identificadores

• Sonrisas canónicas: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCCN6C(=O)C=CC6=O)CO)O)N)O
• IUPAC Name: N-[(E)-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]-6-(2,5-dioxopyrrol-1-yl)hexanamide
• InChIKey: OBMJQRLIQQTJLR-USGQOSEYSA-N
• INCHI: 1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1
• Isómeros SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(/C(=N/NC(=O)CCCCCN6C(=O)C=CC6=O)/CO)O)N)O
• Peso molecular: 750.75
• Reaxy-Rn: 61753403
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=61753403&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Anthracyclines

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Anthracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracyclines
• Alternative Parents: Tetracenequinones Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Tetralins Aryl ketones Anisoles Maleimides Alkyl aryl ethers N-substituted carboxylic acid imides Oxanes Dicarboximides Vinylogous acids Tertiary alcohols Pyrrolines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Acetals Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Aldehydes Organic oxides Monoalkylamines Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Anthracycline - Anthracyclinone-skeleton - Aminoglycoside core - Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Aryl ketone - Anisole - Amino saccharide - Maleimide - Alkyl aryl ether - Monosaccharide - Carboxylic acid imide, n-substituted - Oxane - Benzenoid - Dicarboximide - Tertiary alcohol - Vinylogous acid - Carboxylic acid imide - Pyrroline - Ketone - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Acetal - Polyol - Oxacycle - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aldehyde - Organonitrogen compound - Primary aliphatic amine - Primary alcohol - Amine - Primary amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.
• 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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO
• Peso molecular: 750.700 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 12
• Exact Mass: 750.275 Da
• Monoisotopic Mass: 750.275 Da
• Topological Polar Surface Area: 268.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1510.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1