RTC-30 - ≥99% , CAS No.1423077-95-5

CAS: 1423077-95-5 Cat. No.: R649359 Formula: C₂₄H₂₃F₃N₂O₄S Molecular Weight: 492.51 PubChem CID: 71263372

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

RTC-30 is an optimized phenothiazine with anti-cancer potency. RTC-30 contains a hydroxylated linker (N) that confers increased oral bioavailability.

In Vitro

RTC-30 (0-40 μM; 48 hours) inhibits H1650 lung adenocarcinoma cell growth with an GI 50 of 15 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: H1650 lung adenocarcinoma cells Concentration: 0 μM, 1 μM, 10 μM, 20 μM, 30 μM, 40μM Incubation Time: 48 hours Result: Inhibited H1650 lung adenocarcinoma cell growth.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

RTC-30 is an optimized phenothiazine with anti-cancer potency. RTC-30 contains a hydroxylated linker (N) that confers increased oral bioavailability.

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: C1CC2=CC=CC=C2N(C3=CC=CC=C31)CC(CNS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)O
• IUPAC Name: N-[(2R)-3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxypropyl]-4-(trifluoromethoxy)benzenesulfonamide
• InChIKey: HNXBILKEHPSDSB-IBGZPJMESA-N
• INCHI: 1S/C24H23F3N2O4S/c25-24(26,27)33-20-11-13-21(14-12-20)34(31,32)28-15-19(30)16-29-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)29/h1-8,11-14,19,28,30H,9-10,15-16H2/t19-/m0/s1
• Isomeric SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)C[C@H](CNS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)O
• PubChem CID: 71263372
• Molecular Weight: 492.51

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 Azepines Organosulfonamides Aminosulfonyl compounds Trihalomethanes Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Alkyldiarylamine - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Azepine - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Trihalomethane - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Azacycle - Halomethane - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Amine - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 15 mg/mL (30.46 mM; Need ultrasonic)
• Molecular Weight: 492.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 492.133 Da
• Monoisotopic Mass: 492.133 Da
• Topological Polar Surface Area: 87.300 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 728.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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