SMS2-IN-2 - ≥98% , CAS No.2241838-28-6

CAS: 2241838-28-6 Cat. No.: S1441266 PubChem CID: 134813905

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

개요

SMS2-IN-2 is a potent, highly selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, with IC 50 s of 100 nM and 56 μM for SMS2 and SMS1, respectively. Anti-chronic inflammatory activity.

Specifications

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: C1=CC2=C(C(=C1)OCC3=C(C=CC(=C3)F)Cl)C(=NO2)NC4=CN=CC=C4
• IUPAC Name: 4-[(2-chloro-5-fluorophenyl)methoxy]-N-pyridin-3-yl-1,2-benzoxazol-3-amine
• InChIKey: VZWFUUUUCXTDJT-UHFFFAOYSA-N
• INCHI: 1S/C19H13ClFN3O2/c20-15-7-6-13(21)9-12(15)11-25-16-4-1-5-17-18(16)19(24-26-17)23-14-3-2-8-22-10-14/h1-10H,11H2,(H,23,24)
• 이성체 SMILES: C1=CC2=C(C(=C1)OCC3=C(C=CC(=C3)F)Cl)C(=NO2)NC4=CN=CC=C4
• PubChem CID: 134813905

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzisoxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzisoxazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzisoxazoles
• Alternative Parents: Fluorobenzenes Chlorobenzenes Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Aryl fluorides Aryl chlorides Isoxazoles Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzisoxazole - Halobenzene - Fluorobenzene - Chlorobenzene - Aminopyridine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 2241838-28-6. InChIKey VZWFUUUUCXTDJT-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.