Carminomycin , CAS No.39472-31-6

CAS: 39472-31-6 Cat. No.: C340673 Fórmula: C₂₆H₂₇NO₁₀ Peso molecular: 513.49

Synonyms

NCGC00159344-02 | A857268 | HY-B2171 | Q5047474 | (1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid | Carminomycin I | 50935-04-1 (free base) | (8S,10S)-8-acetyl-10-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Carminomycin is an antitumor and antibiotic compound.

Specifications

Sinónimos

NCGC00159344-02 | A857268 | HY-B2171 | Q5047474 | (1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-tridesoxy-alpha-L-lyxo-hexopyranosid | Carminomycin I | 50935-04-1 (free base) | (8S,10S)-8-acetyl-10-

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.

Nomes e identificadores

• Sorrisos canónicos: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)O)O)(C(=O)C)O)N)O
• IUPAC Name: (7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
• InChIKey: XREUEWVEMYWFFA-CSKJXFQVSA-N
• INCHI: 1S/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/t9-,13-,15-,16-,21+,26-/m0/s1
• SMILES isoméricas: 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)O)O)(C(=O)C)O)N)O
• Peso molecular: 513.49
• Reaxy-Rn: 25075846
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25075846&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Anthracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracyclines
• Alternative Parents: Tetracenequinones Aminoglycosides Anthraquinones Hexoses O-glycosyl compounds Tetralins Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Polyols Acetals Organic oxides Organopnictogen compounds Hydrocarbon derivatives Monoalkylamines
• 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 - Amino saccharide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monosaccharide - Oxane - Tertiary alcohol - Alpha-hydroxy ketone - Vinylogous acid - Secondary alcohol - 1,2-aminoalcohol - Ketone - Polyol - Organoheterocyclic compound - Acetal - Oxacycle - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Amine - Organonitrogen compound - Primary amine - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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: quinone - anthracycline antibiotic - aminoglycoside antibiotic

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)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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NR1I2 Tchem Pregnane X receptor (6667 Activities)

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HEK293 (82097 Activities)

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HeLa (62764 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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HTT Tchem Huntingtin (19182 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

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BLM Tchem Bloom syndrome protein (4248 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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Alvos associados (não humanos)

Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Plasmodium falciparum (966862 Activities)

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L1210 (27553 Activities)

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P388 (20296 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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pfk 6-phospho-1-fructokinase (7870 Activities)

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Bacillus spizizenii (1898 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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Impa1 Inositol monophosphatase 1 (16203 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 191-192°C (lit.)
• Peso molecular: 513.500 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 513.163 Da
• Monoisotopic Mass: 513.163 Da
• Topological Polar Surface Area: 197.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 944.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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

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 39472-31-6, the molecular formula is C26H27NO10, and the molecular weight is 513.49 g/mol. InChIKey XREUEWVEMYWFFA-CSKJXFQVSA-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.