독시사이클린 - 몰리건드™, ≥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 분자식: C₂₂H₂₄N₂O₈ 분자량: 444.44 EC 번호: 209-271-1

GRADE & PURITY Moligand™, ≥97%

Synonyms

독시베틴 | 4-에피옥시테트라사이클린, 6- 데옥시- | 비브라마이신 | 데옥시마이코인 | DMSC(*포스파텍스) | DTXSID80992212 | FT-0625447 | KBioSS_001287 | SCHEMBL21753474 | 비브라마이신(*일수화물) | (4S,4aR,5S,5aR,6R,12aS)-4-(DiMethylaMino)-3,5,10,12,12a-pentahydroxy-6-M

Storage

빛으로부터 보호,-20°C에서 보관하십시오

Shipped In

아이스 박스 + 아이스 패드

개요

항생제인 독시사이클린은 경구 활성의 광범위한 메탈로프로테아제(MMP) 억제제입니다

Specifications

동의어

독시베틴 | 4-에피옥시테트라사이클린, 6- 데옥시- | 비브라마이신 | 데옥시마이코인 | DMSC(*포스파텍스) | DTXSID80992212 | FT-0625447 | KBioSS_001287 | SCHEMBL21753474 | 비브라마이신(*일수화물) | (4S,4aR,5S,5aR,6R,12aS)-4-(DiMethylaMino)-3,5,10,12,12a-pentahydroxy-6-M

사양 및 순도

몰리건드™, ≥97%

보관 조건

빛으로부터 보호,-20°C에서 보관하십시오

배송

아이스 박스 + 아이스 패드

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of MMP7;Inhibitor of MMP8

순수함

≥97%

이름과 식별자

Pubchem Sid

488201680

Pubchem Sid Url

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

정식 스마일

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

이성체 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

분자량

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
    • 분류 Tetracyclines

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 감도: light sensitive；heat sensitive；moisture sensitive
• 분자량: 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

자주 묻는 질문

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.