AKT Kinase Inhibitor - ≥99% , CAS No.842148-40-7

CAS: 842148-40-7 Cat. No.: A648039 Molecular Weight: 357.37 PubChem CID: 25023726

GRADE & PURITY ≥99%

Synonyms

AKT Kinase Inhibitor | DTXSID80648505 | oxadiazole-containing compound, 12c | NCGC00378667-01 | 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol | BDBM25004 | F84351 | 3-[2-(4-amino-1,2,5-oxadiazo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

AKT Kinase Inhibitor is an Akt kinase inhibitor with anti-tumor activity.

In Vitro

The effect of selective inhibition of Akt in proliferating cells expressing Trop-2 is studied. Akt inhibition, either by silencing or with specific drugs, induces a marked decrease in cell proliferation in cells expressing Trop-2, in a dose-dependent fashion. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Trop-2 expressing tumors subcutaneously injected in animal models show a striking reduction of growth following treatment with specific drugs that inhibit Akt activity. Therefore Akt has a central functional role in mediating the Trop-2-dependent growth stimulus . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Synonyms

AKT Kinase Inhibitor | DTXSID80648505 | oxadiazole-containing compound, 12c | NCGC00378667-01 | 3-[2-(4-amino-1, 2, 5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4, 5-c]pyridin-4-yl]prop-2-yn-1-ol | BDBM25004 | F84351 | 3-[2-(4-amino-1, 2, 5-oxadiazo

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

AKT Kinase Inhibitor is an Akt kinase inhibitor with anti-tumor 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.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCN1C2=C(C(=NC=C2OCCCN)C#CCO)N=C1C3=NON=C3N
• IUPAC Name: 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol
• InChIKey: LWLOLQIXHMFYND-UHFFFAOYSA-N
• INCHI: 1S/C16H19N7O3/c1-2-23-14-11(25-8-4-6-17)9-19-10(5-3-7-24)12(14)20-16(23)13-15(18)22-26-21-13/h9,24H,2,4,6-8,17H2,1H3,(H2,18,22)
• Isomeric SMILES: CCN1C2=C(C(=NC=C2OCCCN)C#CCO)N=C1C3=NON=C3N
• Alternate CAS: 842148-40-7
• PubChem CID: 25023726
• Molecular Weight: 357.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyridines
      • Subclass Imidazo-[4,5-c]pyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyridines
• Subclass: Imidazo-[4,5-c]pyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazo-[4,5-c]pyridines
• Alternative Parents: Alkyl aryl ethers Pyridines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Furazans Oxacyclic compounds Azacyclic compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazo-[4,5-c]pyridine - Alkyl aryl ether - N-substituted imidazole - Pyridine - Imidolactam - Azole - Furazan - Imidazole - Oxadiazole - Heteroaromatic compound - Ether - Oxacycle - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazo-[4,5-c]pyridines. These are organic heterocyclic compounds containing an imidazo-[4,5-c]pyridine ring system. Imidazo-[4,5-c]pyridine consists of an imidazole ring fused to a pyridine, so that the three ring nitrogen atoms are at the 1-, 2-, and 5-position, respectively.
• 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)

ROCK1 Tclin Rho-associated protein kinase 1 (1 Activities)

Discover Target: ROCK1

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

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha-1 (1 Activities)

Discover Target: RPS6KA1

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

AKT1 Tchem RAC-alpha serine/threonine-protein kinase (1 Activities)

Discover Target: AKT1

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

ROCK1 Tclin Rho-associated protein kinase 1 (4723 Activities)

Discover Target: ROCK1

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

RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 Activities)

Discover Target: RPS6KA5

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

RPS6KA1 Tchem Ribosomal protein S6 kinase alpha 1 (2796 Activities)

Discover Target: RPS6KA1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 16.67 mg/mL (46.65 mM; Need ultrasonic)
• Molecular Weight: 357.370 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 357.155 Da
• Monoisotopic Mass: 357.155 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 524.000
• 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