RTC-5 - Moligand™,≥98% , CAS No.1423077-49-9

CAS: 1423077-49-9 Cat. No.: R651254 Formule: C₂₄H₂₂ClF₃N₂O₃S Poids moléculaire: 510.96 PubChem CID: 71263344

GRADE & PURITY Moligand™, ≥98%

Synonyms

TRC-382 | N-(3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)-4-(trifluoromethoxy)benzenesulfonamide

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

RTC-5 (TRC-382) is an optimized phenothiazine with anti-cancer potency. RTC-5 demonstrates efficacy against a xenograft model of an EGFR driven cancer , its effects is attributed to concomitant negative regulation of PI3K-AKT and RAS-ERK signaling

Specifications

Synonymes

TRC-382 | N-(3-(3-Chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl)-4-(trifluoromethoxy)benzenesulfonamide

Spécifications et pureté

Moligand™,≥98%

Mécanismes biochimiques et physiologiques

RTC-5 (TRC-382) is an optimized phenothiazine with anti-cancer potency. RTC-5 demonstrates efficacy against a xenograft model of an EGFR driven cancer , its effects is attributed to concomitant negative regulation of PI3K-AKT and RAS-ERK signaling.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Sourires canoniques

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCNS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

IUPAC Name

N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-(trifluoromethoxy)benzenesulfonamide

InChIKey

QYOJMNDDVVEPFN-UHFFFAOYSA-N

INCHI

1S/C24H22ClF3N2O3S/c25-19-9-8-18-7-6-17-4-1-2-5-22(17)30(23(18)16-19)15-3-14-29-34(31,32)21-12-10-20(11-13-21)33-24(26,27)28/h1-2,4-5,8-13,16,29H,3,6-7,14-15H2

Isomères SMILES

C1CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)CCCNS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

PubChem CID

71263344

Poids moléculaire

510.96

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzazepines
• Subclass: Dibenzazepines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzazepines
• Alternative Parents: Alkyldiarylamines Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Azepines Organosulfonamides Aryl chlorides Aminosulfonyl compounds Trihalomethanes Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzazepine - Alkyldiarylamine - Benzenesulfonamide - Benzenesulfonyl group - Phenol ether - Tertiary aliphatic/aromatic amine - Phenoxy compound - Azepine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Trihalomethane - Tertiary amine - Azacycle - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl fluoride - Amine - Organic oxide - Alkyl halide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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

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KCNH2 Tclin HERG (29587 Activities)

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SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)

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AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

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NCI-H1650 (1118 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 15 mg/mL (29.36 mM; Need ultrasonic)
• Poids moléculaire: 511.000 g/mol
• XLogP3: 7.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 510.099 Da
• Monoisotopic Mass: 510.099 Da
• Topological Polar Surface Area: 67.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 756.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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