WAY-332075 - ≥98% , CAS No.1015865-22-1

CAS: 1015865-22-1 Cat. No.: W417443 分子式: C₂₁H₁₉ClN₂O₅S 分子量: 446.9 PubChem CID: 20860526

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

beta-catenin modulator;

Specifications

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

純度

≥98%

製品の性質

ALogP

2.525

HBD数

1

回転可能な結合

7

名前と識別子

パブケム・シド

504768955

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504768955

カノニカル・スマイル

CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

IUPAC Name

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]acetamide

InChIKey

MWHRWWDGXGKCSG-UHFFFAOYSA-N

INCHI

1S/C21H19ClN2O5S/c1-13-17(24-21(29-13)15-4-2-3-5-16(15)22)10-30(26)11-20(25)23-9-14-6-7-18-19(8-14)28-12-27-18/h2-8H,9-12H2,1H3,(H,23,25)

異性体SMILES

CC1=C(N=C(O1)C2=CC=CC=C2Cl)CS(=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

PubChem CID

20860526

分子量

446.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Benzodioxoles 2,4,5-trisubstituted oxazoles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Oxacyclic compounds Acetals Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenyl-1,3-oxazole - Benzodioxole - 2,4,5-trisubstituted 1,3-oxazole - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Sulfinyl compound - Acetal - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• 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）

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 10

よくある質問

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 ?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 1015865-22-1, the molecular formula is C21H19ClN2O5S, and the molecular weight is 446.9 g/mol. InChIKey MWHRWWDGXGKCSG-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.