SMAP-2 - ≥99% , CAS No.1809068-70-9

CAS: 1809068-70-9 Cat. No.: S648517 Molecular Weight: 532.57 PubChem CID: 91885560

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 532.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

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