853910-02-8

Basic information

• Product Name: α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile
• Synonyms: BAG 956;α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile;2-Methyl-2-[4-[2-methyl-8-[(pyridin-3-yl)ethynyl]imidazo[4,5-c]quinolin-1-yl]phenyl]propionitrile;NVP-BAG 956;2-Methyl-2-(4-(2-Methyl-8-(pyridin-3-ylethynyl)-1H-iMidazo[4,5-c]quinolin-1-yl)phenyl)propanenitrile;2-Methyl-2-[4-(2-methyl-8-pyridin-3-ylethynyl-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile,NVP-BAG;NVP-BAG 956 BAG 956;NVP-BAG956, >=98%
• CAS NO: 853910-02-8
• Molecular Formula: C28H21N5
• Molecular Weight: 427.49984
• EINECS: 200-258-5
• Product Categories: Akt;mTOR;PI3K
• Mol File: 853910-02-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 694.8±65.0 °C(Predicted)
• Appearance: /
• Density: 1.17
• Storage Temp.: Store at RT
• Solubility: DMSO (Slightly, Heated), Methanol (Slightly)
• PKA: 4.99±0.30(Predicted)
• CAS DataBase Reference: α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile(853910-02-8)
• EPA Substance Registry System: α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile(853910-02-8)

Safety Data

• Hazardous Substances Data: 853910-02-8(Hazardous Substances Data)

Usage

Description

α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile, also known as NVP-BAG956, is a synthetic compound with a complex chemical structure. It is characterized by its imidazoquinoline core, which is substituted with various functional groups, including methyl, ethynyl, and pyridinyl moieties. α,α,-Dimethyl-4-[2-methyl-8-[2-(3-pyridinyl)ethynyl]-1H-imidazo[4,5-c]quinolin-1-yl]-benzeneacetonitrile has attracted significant interest in the field of medicinal chemistry due to its potential therapeutic applications.

Uses

Used in Oncology:
NVP-BAG956 is used as a rapamycin inhibitor in the treatment of various melanomas. It targets the mTOR pathway, which plays a crucial role in cell growth, proliferation, and survival. By inhibiting this pathway, NVP-BAG956 induces cell apoptosis, leading to the suppression of tumor growth and progression.
Used in Antileukemic Therapies:
In addition to its application in melanoma treatment, NVP-BAG956 is also used as a dual PI3K/PDK-1 inhibitor in antileukemic therapies. The PI3K/PDK-1 pathway is often dysregulated in leukemia cells, contributing to their uncontrolled proliferation and resistance to apoptosis. NVP-BAG956 targets this pathway, thereby inhibiting the growth and survival of leukemia cells and enhancing the effectiveness of conventional chemotherapy.

InChI:InChI=1S/C28H21N5/c1-19-32-26-17-31-25-13-8-20(6-7-21-5-4-14-30-16-21)15-24(25)27(26)33(19)23-11-9-22(10-12-23)28(2,3)18-29/h4-5,8-17H,1-3H3