10-DEBC hydrochloride - Moligand™, ≥99% , Inhibitor of Pim-1 proto-oncogene; serine/threonine kinase, CAS No.201788-90-1, Inhibitor of Pim-1 proto-oncogene; serine/threonine kinase

CAS: 201788-90-1 Cat. No.: D335507 Molecular Weight: 381.34 PubChem CID: 16760284

GRADE & PURITY Moligand™, ≥99%

Synonyms

aktX | 10-[4'-(n,n-diethylamino)butyl]-2-chlorophenoxazine hydrochloride | 10-DEBCHYDROCHLORIDE | 10-DEBC HYDROCHLORIDE | Akt Inhibitor-X | Akt Inhibitor X | CCG 206734 | 10-(4'-(N-diethylamino)butyl)-2-chlorophenoxazine, HCl | 4-(2-chlorophenoxazin-10-yl

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Selective inhibitor of Akt/PKB. Inhibits IGF-1-stimulated phosphorylation and activation of Akt (complete inhibition at 2.5 μM), suppressing downstream activation of mTOR, p70 S6 kinase and S6 ribosomal protein. Shows no activity at PDK1, SGK1 or PI 3-kin

Specifications

Synonyms

aktX | 10-[4'-(n, n-diethylamino)butyl]-2-chlorophenoxazine hydrochloride | 10-DEBCHYDROCHLORIDE | 10-DEBC HYDROCHLORIDE | Akt Inhibitor-X | Akt Inhibitor X | CCG 206734 | 10-(4'-(N-diethylamino)butyl)-2-chlorophenoxazine, HCl | 4-(2-chlorophenoxazin-10-yl

Specifications & Purity

Moligand™, ≥99%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of Pim-1 proto-oncogene; serine/threonine kinase

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl.Cl
• IUPAC Name: 4-(2-chlorophenoxazin-10-yl)-N,N-diethylbutan-1-amine;hydrochloride
• InChIKey: SVKSJUIYYCQZEC-UHFFFAOYSA-N
• INCHI: 1S/C20H25ClN2O.ClH/c1-3-22(4-2)13-7-8-14-23-17-9-5-6-10-19(17)24-20-12-11-16(21)15-18(20)23;/h5-6,9-12,15H,3-4,7-8,13-14H2,1-2H3;1H
• Isomeric SMILES: CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl.Cl
• PubChem CID: 16760284
• Molecular Weight: 381.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazines
      • Subclass Phenoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzoxazines
• Subclass: Phenoxazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-substituted phenoxazines
• Alternative Parents: Alkyldiarylamines Diarylethers Benzenoids Aryl chlorides Quaternary ammonium salts Trialkylamines Oxacyclic compounds Azacyclic compounds Organochlorides Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-substituted phenoxazine - Alkyldiarylamine - Diaryl ether - Tertiary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Benzenoid - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic chloride salt - Amine - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-substituted phenoxazines. These are phenoxyazines where the nitrogen atom is linked to an atom other than the hydrogen 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(Human)

PIM1 Tchem Serine/threonine-protein kinase pim-1 (1 Activities)

Discover Target: PIM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in water (1 mg/ml), DMSO (100 mM), and methanol.
• Refractive Index: n20D1.57 (Predicted)
• Molecular Weight: 381.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 380.142 Da
• Monoisotopic Mass: 380.142 Da
• Topological Polar Surface Area: 15.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 377.000
• 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: 2

XLogP3