Doxycycline - Moligand™, ≥97% , Inhibitor of MMP7;Inhibitor of MMP8, CAS No.564-25-0, Inhibitor of MMP7;Inhibitor of MMP8

CAS: 564-25-0 Cat. No.: D304007 Formule: C₂₂H₂₄N₂O₈ Poids moléculaire: 444.44 Numéro CE: 209-271-1

GRADE & PURITY Moligand™, ≥97%

Synonyms

Doxivetin | 4-Epioxytetracycline, 6-deoxy- | Vibramycin | Deoxymykoin | DMSC (*Fosfatex) | DTXSID80992212 | FT-0625447 | KBioSS_001287 | SCHEMBL21753474 | Vibramycin (*monohydrate) | (4S,4aR,5S,5aR,6R,12aS)-4-(DiMethylaMino)-3,5,10,12,12a-pentahydroxy-6-M

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Doxycycline, an antibiotic, is an orally active and broad-spectrum metalloproteinase (MMP) inhibitor

Specifications

Synonymes

Doxivetin | 4-Epioxytetracycline, 6-deoxy- | Vibramycin | Deoxymykoin | DMSC (*Fosfatex) | DTXSID80992212 | FT-0625447 | KBioSS_001287 | SCHEMBL21753474 | Vibramycin (*monohydrate) | (4S,4aR,5S,5aR,6R,12aS)-4-(DiMethylaMino)-3,5,10,12,12a-pentahydroxy-6-M

Spécifications et pureté

Moligand™, ≥97%

Conditions de stockage de stockage

Protected from light,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.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of MMP7;Inhibitor of MMP8

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488201680

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201680

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

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

InChIKey

SGKRLCUYIXIAHR-AKNGSSGZSA-N

INCHI

1S/C22H24N2O8/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)/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

Poids moléculaire

444.44

Reaxy-Rn

29482689

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29482689&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 Aralkylamines Cyclohexenones Vinylogous acids Tertiary alcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Polyols Carboximidic acids Enols Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracycline - 1-naphthol - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Cyclic alcohol - Tertiary alcohol - Vinylogous acid - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Carboximidic acid - Carboximidic acid derivative - Polyol - Enol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Amine - Organopnictogen compound - Carbonyl group - Organic oxide - 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

Cibles associées (humaines)

MMP7 Tchem Matrilysin (1 Activities)

Discover Target: MMP7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP8 Tchem Neutrophil collagenase (1 Activities)

Discover Target: MMP8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriétés chimiques et physiques

• Sensibilité: light sensitive；heat sensitive；moisture sensitive
• Poids moléculaire: 444.400 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 444.153 Da
• Monoisotopic Mass: 444.153 Da
• Topological Polar Surface Area: 182.000 Ų
• Heavy Atom Count: 32
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 564-25-0, the molecular formula is C22H24N2O8, and the molecular weight is 444.44 g/mol. InChIKey SGKRLCUYIXIAHR-AKNGSSGZSA-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.