SMAP-2 - ≥99% , CAS No.1809068-70-9

CAS: 1809068-70-9 Cat. No.: S648517 分子式: C₂₇H₂₇F₃N₂O₄S 分子量: 532.57 PubChem CID: 91885560

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

SMAP-2 (DT-1154) is an orally active protein phosphatase 2A (PP2A) activator, with anti-cancer activity

In Vitro

SMAP-2 reduces cell viability of pancreatic ductal adenocarcinoma (PDA) cell lines in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

SMAP-2 significantly reduces abdominal aortic aneurysms (AAA) incidence and aortic dilation in pro-AAA apolipoprotein E- (ApoE-/-) mice. SMAP-2 (15 mg/kg; i.g.; daily; 6 days a week; for approximately 14 days) has anti-tumor activity in pancreatic cancer mice model. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: NSG mice, with PANC89 cells xenograftDosage: 15 mg/kg Administration: Oral gavage, daily, 6 days a week, for approximately 14 days Result: Decreased tumor growth and tumor weight.

Form:Solid

IC50& Target:PP2A

Specifications

仕様と純度

≥99%

生化学的・生理学的メカニズム

SMAP-2 (DT-1154) is an orally active protein phosphatase 2A (PP2A) activator, with anti-cancer activity.

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

≥99%

名前と識別子

• カノニカル・スマイル: C1CC(C(C(C1)N2C3=CC=CC=C3CCC4=CC=CC=C42)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F
• IUPAC Name: N-[(1S,2S,3R)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
• InChIKey: SDVKTCLBCCAFIS-HDYLNDSGSA-N
• INCHI: 1S/C27H27F3N2O4S/c28-27(29,30)36-20-14-16-21(17-15-20)37(34,35)31-22-8-5-11-25(26(22)33)32-23-9-3-1-6-18(23)12-13-19-7-2-4-10-24(19)32/h1-4,6-7,9-10,14-17,22,25-26,31,33H,5,8,11-13H2/t22-,25+,26+/m0/s1
• 異性体SMILES: C1C[C@@H]([C@H]([C@@H](C1)N2C3=CC=CC=C3CCC4=CC=CC=C42)O)NS(=O)(=O)C5=CC=C(C=C5)OC(F)(F)F
• PubChem CID: 91885560
• 分子量: 532.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzazepines
      • Subclass Dibenzazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Alkyldiarylamines Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Cyclohexylamines Cyclohexanols Azepines Organosulfonamides Aminosulfonyl compounds Trihalomethanes Cyclic alcohols and derivatives 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Alkyldiarylamine - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Tertiary aliphatic/aromatic amine - Phenol ether - Cyclohexylamine - Cyclohexanol - Azepine - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Trihalomethane - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon 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

化学的性質と物理的性質

• 溶解度: DMSO : 300 mg/mL (563.31 mM; Need ultrasonic)

よくある質問

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 1809068-70-9, the molecular formula is C27H27F3N2O4S, and the molecular weight is 532.57 g/mol. InChIKey SDVKTCLBCCAFIS-HDYLNDSGSA-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.