63874-95-3

Basic information

• Product Name: 1-BENZYL-1H-PYRAZOLE-4-CARBALDEHYDE
• Synonyms: 1-benzyl-1H-pyrazole-4-carboxaldehyde;1H-Pyrazole-4-carboxaldehyde,1-(phenylMethyl)-;1-(Benzyl)-1H-pyrazol-4-carbaldehyde;1-Benzylpyrazole-4-carbaldehyde
• CAS NO: 63874-95-3
• Molecular Formula: C₁₁H₁₀N₂O
• Molecular Weight: 186.21
• Product Categories: Heterocyclic Building Blocks
• Mol File: 63874-95-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 44.0 to 48.0 °C
• Boiling Point: 144°C/0.5mmHg(lit.)
• Flash Point: 172.1 °C
• Appearance: /
• Density: 1.12 g/cm³
• Vapor Pressure: 2.15E-05mmHg at 25°C
• Refractive Index: 1.592
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: soluble in Methanol
• PKA: -0.07±0.10(Predicted)
• CAS DataBase Reference: 1-BENZYL-1H-PYRAZOLE-4-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BENZYL-1H-PYRAZOLE-4-CARBALDEHYDE(63874-95-3)
• EPA Substance Registry System: 1-BENZYL-1H-PYRAZOLE-4-CARBALDEHYDE(63874-95-3)

Safety Data

• Hazardous Substances Data: 63874-95-3(Hazardous Substances Data)

Usage

General Description

1-Benzyl-1H-pyrazole-4-carbaldehyde is an organic compound that belongs to the class of heterocyclic compounds known as 1-Benzylpyrazoles. These compounds contain a pyrazole ring, which is a five-membered aromatic ring with two nitrogen atoms, substituted at the 1-position with a benzyl group. 1-Benzyl-1H-pyrazole-4-carbaldehyde in particular has a formyl group (aldehyde group) at the 4-position of the ring. Its physical properties and exact usage may vary based on the specific context, derivatives and reactions, but like other organic compounds, it could potentially be utilized in various areas of chemical research, pharmaceuticals, or materials science.

InChI:InChI=1/C11H10N2O/c14-9-11-6-12-13(8-11)7-10-4-2-1-3-5-10/h1-6,8-9H,7H2

Upstream product

• 150559-94-7 ethyl 1‐benzyl‐1H‐pyrazole‐4‐carboxylate 
• 100-39-0 benzyl bromide 
• 50877-42-4 1-benzyl-4-iodo-1H-pyrazole 
• 68-12-2 N,N-dimethyl-formamide 
• 70817-17-3 (1-benzyl-1H-pyrazol-4-yl)methanol 
• 10199-67-4 1-benzylpyrazole 

Downstream Products

• 132549-02-1 (E)-N-<(1-benzyl-4-pyrazolyl)methylene> phenylamine 
• 132549-05-4 (Z)-1-benzyl-1H-pyrazole-4-carbaldoxime O-methyl ether 
• 132549-06-5 (E)-1-benzyl-1H-pyrazole-4-carbaldoxime O-methyl ether 
• 132549-00-9 (E)-1-benzyl-1H-pyrazole-4-carbaldehyde semicarbazone 
• 132548-99-3 (E)-1-benzyl-1H-pyrazole-4-carbaldehyde benzenesulfonylhydrazone 
• 132549-03-2 (Z)-1-benzyl-1H-pyrazole-4-carbaldoxime 
• 132549-04-3 (E)-1-benzyl-1H-pyrazole-4-carbaldoxime 
• 1326316-24-8 C₁₃H₁₄N₂O 
• 1326316-31-7 3,5-diallyl-2-benzyl-4-hydroxy-2H-pyrazole 
• 1326316-19-1 4-allyloxy-1-benzyl-1H-pyrazole 
• 132548-98-2 (E)-1-benzyl-1H-pyrazole-4-carbaldehyde phenylhydrazone 

Relevant articles and documents

Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer

SUMOylation is a reversible post-translational modification that regulates protein function through covalent attachment of small ubiquitin-like modifier (SUMO) proteins. The process of SUMOylating proteins involves an enzymatic cascade, the first step of which entails the activation of a SUMO protein through an ATP-dependent process catalyzed by SUMO-activating enzyme (SAE). Here, we describe the identification of TAK-981, a mechanism-based inhibitor of SAE which forms a SUMO-TAK-981 adduct as the inhibitory species within the enzyme catalytic site. Optimization of selectivity against related enzymes as well as enhancement of mean residence time of the adduct were critical to the identification of compounds with potent cellular pathway inhibition and ultimately a prolonged pharmacodynamic effect and efficacy in preclinical tumor models, culminating in the identification of the clinical molecule TAK-981.

2-(HETERO)ARYL-BENZIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF ASPARAGIME EMETHYL TRANSFERASE

Substituted benzimidazole and 3H-imidazo[4,5-b]pyridines or formula I: where X and Y respectively are selected from: (i) N and N; and (ii) N and CR4; A2 is selected from:, a C5 heteroarylene group, containing 2 or 3 ring heteroatoms, where the bonds to L1 and the core are β to one another; L1 is selected from: (i)A1-O-CH2-A2; (ii)A1-CH2-O-A2; (iii)A1-C(=O)-NH-A2; (iv)A1-CH(OH)-A2; (v)A1-CH2-NH-C(=O)-A2; (vi) A1-S-CH2-A2; (vii)A1- CH2-S-A2; (viii)A1-CH2-A2; and (ix)A1-CH(CH3)-O-A2; A1 is phenyl, optionally substituted by F or CF3; their use as pharmaceuticals, and in particular, in treating cancer and hemoglobinopathies.

FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE

This invention provides novel inhibitors of the enzyme D-amino acid oxidase as well as pharmaceutical compositions including the compounds of the invention. The invention also provides methods for the treatment and prevention of neurological disorders, such as neuropsychiatric and neurodegenerative diseases, as well as pain, ataxia and convulsion. The compounds of the invention have the general structure: wherein A is NH or S. Q is a member selected from CR1 and N. X and Y are members independently selected from O, S, CR2, N and NH. R1, R2 and R4 are members independently selected from H and F, provided that at least one member selected from R1, R2 and R4 is F. R6 is a member selected from O?X+ and OH, wherein X+ is a positive ion, which is a member selected from inorganic positive ions and organic positive ions.