578008-32-9

Basic information

• Product Name: 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester
• Synonyms: 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester;tert-butyl 3-aMino-5-Methyl-1H-pyrazole-1-carboxylate;3-Amino-5-methylpyrazole-1-carboxylic acid tert-butyl ester
• CAS NO: 578008-32-9
• Molecular Formula: C₉H₁₅N₃O₂
• Molecular Weight: 197.23
• Product Categories: AMINOACID
• Mol File: 578008-32-9.mol

Chemical Properties

• Boiling Point: 322.7±34.0 °C(Predicted)
• Appearance: /
• Density: 1.18±0.1 g/cm3(Predicted)
• PKA: 2.89±0.11(Predicted)
• CAS DataBase Reference: 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester(578008-32-9)
• EPA Substance Registry System: 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester(578008-32-9)

Safety Data

• Hazardous Substances Data: 578008-32-9(Hazardous Substances Data)

Usage

Uses

Due to the lack of specific information on the uses of 1H-Pyrazole-1-carboxylicacid,3-amino-5-methyl-,1,1-dimethylethylester, it is not possible to list its applications in various industries or as a specific type of application. Further research and data would be required to determine its potential uses and benefits in different contexts.

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 31230-17-8 3-methyl-5-aminopyrazole 
• 85485-59-2 5-methyl-1-phenyl-1H-pyrazol-3-amine 
• 24424-95-1 di-tert-butyl tricarbonate 
• 31230-17-8 3-amino-5-methylpyrazole 

Downstream Products

• 1172620-93-7 tert-butyl 5-methyl-3-{[6-(phenylamino)pyrazin-2-yl]amino}pyrazole-carboxylate 
• 1172621-06-5 tert-butyl 5-methyl-3-(6-phenylpyrazin-2-ylamino)-1H-pyrazole-1-carboxylate 
• 1362689-58-4 tert-butyl 3-(3-(4-fluorophenylsulfonyl)isoquinolin-1-ylamino)-5-methyl-1H-pyrazole-1-carboxylate 
• 1362689-46-0 tert-butyl 3-(3-(4-fluorobenzoyl)isoquinolin-1-ylamino)-5-methyl-1H-pyrazole-1-carboxylate 
• 1362689-56-2 tert-butyl 3-(3-(4-fluorophenylsulfinyl)isoquinolin-1-ylamino)-5-methyl-1H-pyrazole-1-carboxylate 

Relevant articles and documents

ATR INHIBITORS AND USES THEREOF

The present disclosure relates to novel compounds useful as inhibitors of ATR kinase, as well as pharmaceutical compositions comprising these compounds and methods of treatment by administration of these compounds or the pharmaceutical compositions.

Synthesis of Functionalized Thiophene Based Pyrazole Amides via Various Catalytic Approaches: Structural Features through Computational Applications and Nonlinear Optical Properties

In the present study, pyrazole-thiophene-based amide derivatives were synthesized by different methodologies. Here, 5-Bromothiophene carboxylic acid (2) was reacted with substituted, unsubstituted, and protected pyrazole to synthesize the amide. It was observed that unsubstituted amide (5-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-carboxamide (7) was obtained at a good yield of about 68 percent. The unsubstituted amide (7) was arylated through Pd (0)-catalyzed Suzuki–Miyaura cross-coupling, in the presence of tripotassium phosphate (K3PO4) as a base, and with 1,4-dioxane as a solvent. Moderate to good yields (66–81%) of newly synthesized derivatives were obtained. The geometry of the synthesized compounds (9a–9h) and other physical properties, like non-linear optical (NLO) properties, nuclear magnetic resonance (NMR), and other chemical reactivity descriptors, including the chemical hardness, electronic chemical potential, ionization potential, electron affinity, and electrophilicity index have also been calculated for the synthesized compounds. In this study, DFT calculations have been used to investigate the electronic structure of the synthesized compounds and to compute their NMR data. It was also observed that the computed NMR data manifested significant agreement with the experimental NMR results. Furthermore, compound (9f) exhibits a better non-linear optical response compared to all other compounds in the series. Based on frontier molecular orbital (FMO) analysis and the reactivity descriptors, compounds (9c) and (9h) were predicted to be the most chemically reactive, while (9d) was estimated to be the most stable among the examined series of compounds.

HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF

The present invention relates to a heterocyclic compound, a pharmaceutical composition comprising same, a preparation method therefor, and a use thereof. Specifically, the compound of the present invention is represented by formula (I), and used for preventing or treating a disease or condition related to RET activity.

Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same

The present disclosure relates to a novel phenylpyridine derivative represented by Chemical Formula 1 and a pharmaceutical composition comprising the same, and the compound according to the present disclosure can be usefully used for the prevention or treatment of autoimmune diseases or cancers.

4-((1H-pyrazol-3-yl)amino)phthalazin-1(2H)-one derivatives and pharmaceutical composition for use in preventing or treating cancer containing the same as an active ingredient

The present invention relates to a 4-((1H-pyrazol-3-yl)amino)phthalazine-1(2H)-one derivative and a pharmaceutical composition for preventing or treating cancer containing the same as an active component. The derivative exhibits high inhibitory activity on various protein kinases, and in particular, has excellent inhibitory ability on RET proto-oncogene enzymes, and also has an excellent inhibitory effect on proliferation of medullary thyroid cancer cells and lung cancer cells expressing RET fusion genes, thereby being able to be usefully used for treating medullary thyroid cancer or lung cancer, and in particular, being able to be usefully used for treating cancer in which RET fusion genes are expressed.

Synthesis of aminopyrazole analogs and their evaluation as CDK inhibitors for cancer therapy

We synthesized a library of aminopyrazole analogs to systematically explore the hydrophobic pocket adjacent to the hinge region and the solvent exposed region of cyclin dependent kinases. Structure-activity relationship studies identified an optimal substitution for the hydrophobic pocket and analog 24 as a potent and selective CDK2/5 inhibitor.

Known and new heterocyclic compounds as pest control agents

The present application relates to the use of known and new heterocyclic compounds for fighting animal pests, new heterocyclic compounds, methods for producing said compounds and the use of these compounds for fighting animal pests.

SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS

The present invention provides substituted heterocyclylderivatives of formula (I), which are therapeutically useful, particularly as selective transcriptional CDK inhibitors including CDK7, CDK9, CDK12, CDK13 and CDK18, more particularly transcriptional CDK7 inhibitors. These compounds are useful in the treatment and prevention of diseases and/or disorders associated with selective transcriptional CDKs in a mammal. The present invention also provides preparation of the compounds and pharmaceutical formulations comprising at least one of the substituted heterocyclyl derivatives of formula (I) or a pharmaceutically acceptable salt or a stereoisomer thereof.

Design, synthesis, and evaluation of hinge-binder tethered 1,2,3-triazolylsalicylamide derivatives as Aurora kinase inhibitors

A series of hinge-binder tethered 1,2,3-triazolylsalicylamide derivatives were designed, synthesized, and evaluated for the Aurora kinase inhibitory activities. The novel hinge-binder tethered 1,2,3-triazolylsalicylamide scaffold was effectively assembled by Cu(I)-catalyzed azide-alkyne 1,3-dipolar cycloaddition (CuAAC). A variety of alkynes with hinge binders were used to search proper structures-binding relationship to the hinge region. The synthesized 1,2,3-triazolylsalicylamide derivatives showed significant Aurora kinase inhibitory activity. In particular, 8a inhibited Aurora A kinase with an IC50 value of 0.284 μM, whereas 8m inhibited Aurora B kinase with an IC50 value of 0.364 μM.

Novel 5-arylcarbamoyl-2-methylisoxazolidin-3-yl-3-phosphonates as nucleotide analogues

A series of 5-substituted 3-phosphonylated isoxazolidines have been obtained via cycloaddition of N-methyl-C-(diethoxyphosphoryl)nitrone with N-heteroaromatic acrylamides. Good trans/cis diastereoselectivities (d.e. 58-76%) of isomeric (3-diethoxyphosphoryl)isoxazolidines were observed. cis-and trans-Isoxazolidine phosphonates were evaluated for their antiviral activity against a broad range of DNA and RNA viruses but were found inactive. Their cytostatic activity toward L1210, CEM, and HeLa cells was also established, and compounds cis-12r and trans-11r having a 2,2-difluorobenzo[d][1,3]dioxole moiety slightly inhibited proliferation of HeLa cells at IC50 values of 186 and 179 M, respectively.