1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one

Basic Information

View in Editor

CAS Number

612847-09-3

Molecular Formula

C34H29N7O

Molecular Weight

551.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

242-245°C (dec.)

SMILES

View in Editor

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC=C(C=C4)C5=NC6=C(C=C7C(=C6)NC=N7)N=C5C8=CC=CC=C8

InChI

InChI=1S/C34H29N7O/c42-34-39-26-8-4-5-9-31(26)41(34)25-14-16-40(17-15-25)20-22-10-12-24(13-11-22)33-32(23-6-2-1-3-7-23)37-29-18-27-28(36-21-35-27)19-30(29)38-33/h1-13,18-19,21,25H,14-17,20H2,(H,35,36)(H,39,42)

InChIKey

BIWGYFZAEWGBAL-UHFFFAOYSA-N

LogP

6.320200000000005

Topological Polar Surface Area

95.49000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

1270

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

1-(1-(4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
AKT inhibitor VIII
1-(1-(4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl)-piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]...
2H-Benzimidazol-2-one, 1,3-dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]-
3-[1-[[4-(7-phenyl-3H-imidazo[4,5-g]quinoxalin-6-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
1,3-Dihydro-1-(1-((4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl)methyl)-4-piperidinyl)-2H-benzimidazol-2-one
Akt Inhibitor VIII, Isozyme-Selective, Akti-1
AKTI-1
imidazoquinoxaline 16h
1,3-Dihydro-1-[1-[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenylmethyl]-4-piperidinyl]-2H-benzimidazol-2-one
1,3-Dihydro-1-[1-[[4-(6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]-4-piperidinyl]-2H-benzimidazol-2-one
Akti-1/2
Akt Inhibitor VIII, Isozyme-Selective, Akti-1/2
InSolution™ Akt Inhibitor VIII, Isozyme-Selective, Akti-1/2
1-{1-

MDL Number

MFCD09026909

FAQ

What are the physical and chemical properties of 1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 612847-09-3)?

1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one is a crystalline compound with a molecular weight of approximately 643.5 g/mol. It has a low water solubility but is soluble in organic solvents like DMSO. The compound exhibits good stability in neutral and slightly acidic conditions, with potential reactivity towards strong acids and bases. It is an effective inhibitor of certain protein kinases, making it valuable in pharmaceutical research.

How is 1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 612847-09-3) typically synthesized?

The compound is typically synthesized through a multistep process involving the reaction of 6-phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl] with 4-piperidinyl groups. Commonly, the synthesis involves the use of organic solvents and protecting groups to ensure the desired regioselectivity. Each step requires careful control of conditions to achieve high yield and purity. The synthetic route generally includes protecting group strategies, coupling reactions, and purification techniques such as column chromatography.

What industries use 1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 612847-09-3)?

This compound is primarily used in the pharmaceutical industry for its inhibitory effects on protein kinases, which are important targets in drug discovery. It may also have applications in the polymer industry for its potential to act as a stabilizer or additive. Additionally, it could be utilized in sensor technologies due to its chemical reactivity and in semiconductor manufacturing for its stability and functional groups.

What precautions should be taken when handling 1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one (CAS: 612847-09-3)?

When handling 1-{1-[4-(6-Phenyl-1H-imidazo[4,5-g]quinoxalin-7-yl)benzyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one, it is important to use personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the compound. Spills should be cleaned up using appropriate absorbent materials and the area should be properly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage requirements.