Chlorhydrate de doxycycline - Moligand™, ≥95% , CAS No.10592-13-9

CAS: 10592-13-9 Cat. No.: D302150 Formule: C₂₂H₂₄N₂O₈·HCl Poids moléculaire: 480.9 Numéro CE: 234-198-7

GRADE & PURITY Moligand™, ≥95%

Synonyms

CHEBI:652992 | Doxycycline hyclate | DTXSID1045405 | 4182Z6T2ET | Doxycycline HCl | Doxigalumicina | NSC-756751 | Doxycycline (chlorhydrate) | Doxycycline hydrochloride | Doxylin | Doxycycline, HCl | Vibramycine (TN) | Vibramycine hydrochloride | Vibramyc

Storage

Stocker à 2-8°C, chargé d'argon, desséché

Shipped In

Glace humide

Vue d’ensemble

Le chlorhydrate de doxycycline, un antibiotique, est un inhibiteur de la métalloprotéinase (MMP) à large spectre[1]. Le chlorhydrate de doxycycline présente une activité antibactérienne et une activité de prolifération des cellules cancéreuses

Specifications

Synonymes

CHEBI:652992 | Doxycycline hyclate | DTXSID1045405 | 4182Z6T2ET | Doxycycline HCl | Doxigalumicina | NSC-756751 | Doxycycline (chlorhydrate) | Doxycycline hydrochloride | Doxylin | Doxycycline, HCl | Vibramycine (TN) | Vibramycine hydrochloride | Vibramyc

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

Dérivé de la tétracycline à large spectre avec une activité antimicrobienne similaire. Bloque la liaison de l'aminoacyl-ARNt au complexe ARNm-ribosome, inhibant ainsi la synthèse des protéines. Puissant inhibiteur des MMP (métalloprotéinases matricielles)

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon, desséché

Expédié en

Glace humide

Grade

Moligand™

Type d'action

INHIBITOR

Note

Dans la mesure du possible, les solutions doivent être préparées et utilisées le même jour. Toutefois, si vous devez préparer des solutions de base à l'avance, nous vous recommandons de les conserver sous forme d'aliquotes dans des flacons hermétiques à -20°C. Ces aliquotes sont généralement utilisables pendant un mois. En général, ces solutions peuvent être utilisées pendant un mois. Avant utilisation, et avant d'ouvrir le flacon, nous vous recommandons de laisser votre produit s'équilibrer à température ambiante pendant au moins 1 heure. Besoin de plus de conseils sur la solubilité, l'utilisation et la manipulation ? Veuillez consulter notre page de questions fréquemment posées (FAQ) pour plus de détails.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488201701

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201701

Sourires canoniques

CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl

IUPAC Name

(4S,4aR,5S,5aR,6R,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride

InChIKey

PTNZGHXUZDHMIQ-CVHRZJFOSA-N

INCHI

1S/C22H24N2O8.ClH/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31);1H/t7-,10+,14+,15-,17-,22-;/m0./s1

Isomères SMILES

C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl

CAS alternatif

100929-47-3；24390-14-5

Poids moléculaire

480.9

Reaxy-Rn

37256518

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37256518&ln=

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: Naphthols and derivatives Cyclohexenones Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tertiary alcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Polyols Enols Carboximidic acids Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracycline - 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 - Secondary alcohol - Ketone - Polyol - Enol - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic homopolycyclic compound
• Description: 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

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HEK293 (82097 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Streptomyces thermovulgaris (19 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water to 50mg/ml. May require warming.
• Sensibilité: Moisture sensitive
• Point d'éclair (°C): 87℃
• Point d'ébullition (°C): 762.6°C at 760 mmHg
• Point de fusion (°C): 195-201℃
• Poids moléculaire: 480.900 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 480.13 Da
• Monoisotopic Mass: 480.13 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 956.000
• 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: 2

XLogP3