4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Base Information

• Chemical Name: 4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
• CAS No.: 328968-36-1
• Molecular Formula: C₂₄H₁₉N₃O₆
• Molecular Weight: 445.431
• Wikidata: Q27166794
• Pharos Ligand ID: JF3HK7VPBZPU
• ChEMBL ID: CHEMBL4208500
• Mol file: 328968-36-1.mol

Synonyms:C646;CHEMBL4208500;HMS3426I05;HMS3653C13;4-(4-((5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid;BCP08378;BDBM50453820;AKOS026750494;SB19338;SW220074-1;C 646;C-646;Q27166794

Chemical Property of 4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Chemical Property:

• Melting Point: 224-226℃
• Boiling Point: 662.6±65.0 °C(Predicted)
• PKA: 4.20±0.10(Predicted)
• Density: 1.38±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• Solubility.: DMSO: >25mg/mL
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 445.12738533
• Heavy Atom Count: 33
• Complexity: 857

Purity/Quality:

99% ^*data from raw suppliers

C 646 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])C2=CC=C(O2)C=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C
• Description: C-646 (328968-36-1) is a potent and selective inhibitor of the histone acetyl transferase p300/CBP (Ki=400 nM ). Induces apoptosis in prostate cancer cells. C-646 enhances fear extinction memory and synaptic plasticity in mice. Promotes tau deacetylation reducing levels of pathogenic p-tau. Cell permeable.
• Uses: C646 is an inhibitor for histone acetyltransferase p300 and may be a potential candidate for treating AML1-ETO (AE) positive acute myeloid leukemia (AML). It is shown that C646 inhibited cellular proliferation, reduced colony formation, evoked partial cell cycle arrest in the G1 phase, and induced apoptosis in AE-positive AML cell lines and primary blasts isolated from leukemic mice and AML patients. C646 was used to study the role of p300 in chronic neuropathic pain in rats with chronic constriction injury.

Technology Process of 4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

There total 1 articles about 4-[4-[[5-(4,5-Dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 72.0%

→ 4-(4-((5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (328968-36-1)

Guidance literature:

Reference yield: 80.0%

4-(4-((5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (328968-36-1) → C24H21N3O6 (1093127-79-7)

Guidance literature:

With methanol; sodium tetrahydroborate; at 20 ℃;

Downstream raw materials:

C₂₄H₂₁N₃O₆

Refernces