Doxycycline - Moligand™, 10mM in DMSO , Inhibitor of MMP7;Inhibitor of MMP8, CAS No.564-25-0, Inhibitor of MMP7;Inhibitor of MMP8

CAS: 564-25-0 Cat. No.: D424778 分子式: C₂₂H₂₄N₂O₈ 分子量: 444.44 EC番号: 209-271-1

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

doxycycline|564-25-0|Vibramycin|Doxytetracycline|Doxycycline (anhydrous)|Doxiciclina|Doxycyclinum|Monodox|Doxycycline anhydrous|Doxycycline hyclate|6alpha-Deoxy-5-oxytetracycline|5-Hydroxy-alpha-6-deoxytetracycline|Vibramycine|Doxychel|Anhydrous doxycycli

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

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

Specifications

同義語

doxycycline | 564-25-0 | Vibramycin | Doxytetracycline | Doxycycline (anhydrous) | Doxiciclina | Doxycyclinum | Monodox | Doxycycline anhydrous | Doxycycline hyclate | 6alpha-Deoxy-5-oxytetracycline | 5-Hydroxy-alpha-6-deoxytetracycline | Vibramycine | Doxychel | Anhydrous doxycycli

仕様と純度

Moligand™, 10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of MMP7;Inhibitor of MMP8

名前と識別子

パブケム・シド

504771333

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504771333

カノニカル・スマイル

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

異性体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

分子量

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
    • 分類 Tetracyclines

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

化学的性質と物理的性質

• 分子量: 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

よくある質問

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 ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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.