GSK717 - ≥99% , CAS No.1595278-21-9

CAS: 1595278-21-9 Cat. No.: G647151 분자식: C₂₈H₂₈N₄O₂ 분자량: 452.5 PubChem CID: 102369397

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

GSK717 is a potent, selective NOD2 (nucleotide-binding oligomerization domain 2) inhibitor. GSK717 inhibits muramyl dipeptide (MDP)-induced NOD2-mediated signaling, with an IC 50 of 400 nM for MDP-stimulated IL-8 secretion in HEK293/hNOD2 cells.

In Vitro

GSK717 blocks synergy between NOD2 and TLR2. GSK717 does not affect NOD1, TNFR1 and TLR2-mediated responses. GSK717 (5 μM) inhibits the release of IL-8, IL-6, TNFα and IL-1β in primary human monocytes stimulated with MDP. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

GSK717 is a potent, selective NOD2 (nucleotide-binding oligomerization domain 2) inhibitor. GSK717 inhibits muramyl dipeptide (MDP)-induced NOD2-mediated signaling, with an IC 50 of 400 nM for MDP-stimulated IL-8 secretion in HEK293/hNOD2 cells.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5

IUPAC Name

N-[2-[1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-N-methylbenzamide

InChIKey

YDOATJUIIFWTKQ-UHFFFAOYSA-N

INCHI

1S/C28H28N4O2/c1-31(28(34)21-8-3-2-4-9-21)17-16-26-30-24-12-5-6-13-25(24)32(26)19-27(33)29-23-15-14-20-10-7-11-22(20)18-23/h2-6,8-9,12-15,18H,7,10-11,16-17,19H2,1H3,(H,29,33)

이성체 SMILES

CN(CCC1=NC2=CC=CC=C2N1CC(=O)NC3=CC4=C(CCC4)C=C3)C(=O)C5=CC=CC=C5

PubChem CID

102369397

분자량

452.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Indanes Benzamides N-arylamides Benzoyl derivatives N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzamide - Benzimidazole - Benzoic acid or derivatives - Indane - Benzoyl - N-arylamide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Imidazole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

NOD1 Tchem Nucleotide-binding oligomerization domain-containing protein 1 (1 Activities)

Discover Target: NOD1

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 250 mg/mL (552.43 mM; Need ultrasonic)
• 분자량: 452.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 452.221 Da
• Monoisotopic Mass: 452.221 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 709.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

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 1595278-21-9, the molecular formula is C28H28N4O2, and the molecular weight is 452.5 g/mol. InChIKey YDOATJUIIFWTKQ-UHFFFAOYSA-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.