Methacycline HCl - ≥99% , CAS No.3963-95-9

CAS: 3963-95-9 Cat. No.: M129888 Formule: C₂₂H₂₂N₂O₈·HCl Poids moléculaire: 478.88 Beilstein Registry Number: 5470951 Numéro CE: 223-568-3

GRADE & PURITY ≥99%

Synonyms

METHACYCLINE HYDROCHLORIDE [USP-RS] | SPECTRUM1501104 | s2527 | Methacycline HCl | 9beta-?Androsta-?4,?6-?diene-?3,?17-?dione | C08029 | NSC356465 | NSC-356465 | HMS1921D15 | METHACYCLINE HYDROCHLORIDE [USP MONOGRAPH] | Physiomycine | D00849 | DTXSID10947

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Methacycline hydrochloride is a tetracycline antibiotic and can inhibits bacterial protein synthesis. Methacycline hydrochloride is a potent epithelial-mesenchymal transition (EMT) inhibitor. Methacycline hydrochloride blocks EMT in vitro and fibrogenesis in vivo without directly affecting TGF-β1 Smad signaling. Methacycline hydrochloride is an antimicrobial and has the potential for pulmonary fibrosis

Specifications

Synonymes

METHACYCLINE HYDROCHLORIDE [USP-RS] | SPECTRUM1501104 | s2527 | Methacycline HCl | 9beta-?Androsta-?4,?6-?diene-?3,?17-?dione | C08029 | NSC356465 | NSC-356465 | HMS1921D15 | METHACYCLINE HYDROCHLORIDE [USP MONOGRAPH] | Physiomycine | D00849 | DTXSID10947

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

Broad-spectrum antibiotic. Anti-bacterial agent. Active in vivo and in vitro .

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

504771365

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771365

Sourires canoniques

CN(C)C1C2C(C3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O.Cl

IUPAC Name

(4S,4aR,5S,5aR,12aR)-4-(dimethylamino)-1,5,10,11,12a-pentahydroxy-6-methylidene-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochloride

InChIKey

VXPSARQTYDZXAO-CCHMMTNSSA-N

INCHI

1S/C22H22N2O8.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;/h4-6,10,14-15,17,25-27,30,32H,1H2,2-3H3,(H2,23,31);1H/t10-,14-,15+,17+,22+;/m1./s1

Isomères SMILES

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

Poids moléculaire

478.88

Beilstein

5470951

Reaxy-Rn

25461541

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25461541&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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Vinylogous acids Tertiary alcohols Cyclic alcohols and derivatives Secondary alcohols Trialkylamines 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 - Benzenoid - Cyclic alcohol - Tertiary alcohol - Vinylogous acid - Ketone - Secondary alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Carboximidic acid - Carboximidic acid derivative - Enol - Polyol - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Hydrochloride - 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO 3 mg/mL Water 5 mg/mL Ethanol <1 mg/mL
• Point de fusion (°C): >190°C
• Poids moléculaire: 478.900 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 478.114 Da
• Monoisotopic Mass: 478.114 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 998.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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