Sancycline - ≥97% , CAS No.808-26-4

CAS: 808-26-4 Cat. No.: S413354 Fórmula: C₂₁H₂₂N₂O₇ Peso molecular: 414.41 Número CE: 617-177-0 PubChem CID: 54688686

GRAU & PUREZA ≥97%

Synonyms

(4S,4aS,5aR,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide | SCHEMBL23271182 | 2-Methyl-3-(2-methylphenyl)quinazolin-4(3H)-one--hydrogen chloride (1/1) | A864642 | Wal-fex | DTXSID505783

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Sancycline (Bonomycin, Norcycline, GS 2147) is a semi-synthetic tetracycline antibiotic.

Especificações

Sinónimos

(4S,4aS,5aR,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide | SCHEMBL23271182 | 2-Methyl-3-(2-methylphenyl)quinazolin-4(3H)-one--hydrogen chloride (1/1) | A864642 | Wal-fex | DTXSID505783

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

Sancycline is a rare semi-synthetic tetracycline prepared by hydrogenolysis of the chloro and benzylic hydroxy moieties of Declomycin. Target: Like other tetracyclines, sancycline acts by reversibly binding to the 30S ribosomal subunit and inhibiting prot

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.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504771373

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771373

Sorrisos canónicos

CN(C)C1C2CC3CC4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O

IUPAC Name

(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

InChIKey

MTCQOMXDZUULRV-ADOAZJKMSA-N

INCHI

1S/C21H22N2O7/c1-23(2)15-10-7-9-6-8-4-3-5-11(24)12(8)16(25)13(9)18(27)21(10,30)19(28)14(17(15)26)20(22)29/h3-5,9-10,15,24-25,28,30H,6-7H2,1-2H3,(H2,22,29)/t9-,10-,15-,21-/m0/s1

SMILES isoméricas

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O

PubChem CID

54688686

Peso molecular

414.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Tetracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracyclines
• Alternative Parents: Anthracenecarboxylic acids and derivatives Naphthols and derivatives Cyclohexenones Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Trialkylamines Primary carboxylic acid amides Cyclic alcohols and derivatives Amino acids and derivatives Polyols Enols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Vinylogous acid - Tertiary alcohol - Cyclic alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Polyol - Enol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
• 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

Alvos associados (humanos)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Alvos associados (não humanos)

Staphylococcus aureus (210822 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 83 mg/mL (200.28 mM) in DMSO；Ethanol（Insoluble）；Water（Insoluble）
• Peso molecular: 414.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 414.143 Da
• Monoisotopic Mass: 414.143 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 892.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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