139755-99-0

Basic information

• Product Name: 1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID
• Synonyms: TIMTEC-BB SBB010494;ASINEX-REAG BAS 02107705;CHEMBRDG-BB 4402460;2-METHYL-5-PROPYL-2H-PYRAZOLE-3-CARBOXYLIC ACID;1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID;1-METHYL-3-PROPYL-5-PYRAZOLE CARBOXYLIC ACID;2-Methyl-5-propyl-2H-pyrazole-3-carboxboxylic acid
• CAS NO: 139755-99-0
• Molecular Formula: C₈H₁₂N₂O₂
• Molecular Weight: 168.19
• Product Categories: GLYCINESCAFFOLD;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 139755-99-0.mol

Chemical Properties

• Melting Point: 150-154 °C
• Boiling Point: 330.274 °C at 760 mmHg
• Flash Point: 153.544 °C
• Appearance: /
• Density: 1.192 g/cm³
• Vapor Pressure: 6.74E-05mmHg at 25°C
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Sightly), Methanol (Slightly)
• PKA: 3.10±0.25(Predicted)
• CAS DataBase Reference: 1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID(139755-99-0)
• EPA Substance Registry System: 1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID(139755-99-0)

Safety Data

• Statements: 20/21/22
• Safety Statements: 3/9-24/25-36/37
• HazardClass: IRRITANT
• Hazardous Substances Data: 139755-99-0(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID is used as an intermediate in the synthesis of various pharmaceutical compounds for [application reason]. Its role in the production of Sildenafil and respective analogs highlights its importance in the development of medications that address specific health concerns.
As an intermediate, 1-METHYL-3-PROPYLPYRAZOLE-5-CARBOXYLIC ACID plays a crucial role in the chemical reactions that lead to the formation of the final drug product. Its unique structure allows for further modification and functionalization, enabling the creation of a wide range of pharmaceutical compounds with diverse therapeutic applications.

InChI:InChI=1/C8H12N2O2/c1-3-4-6-5-7(8(11)12)10(2)9-6/h5H,3-4H2,1-2H3,(H,11,12)/p-1

Upstream product

• 302-15-8 methylhydrazine sulfuric acid 
• 107-87-9 2-Pentanone 
• 92945-27-2 ethyl 3-propyl-1H-pyrazole-5-carboxylate 
• 36983-31-0 ethyl 3-butyrylpyruvate 
• 60-34-4 methylhydrazine 
• 133261-07-1 1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester 

Downstream Products

• 139756-02-8 4-amino-1-methyl-3-propyl-1H-pyrazole-5-carboxamide 
• 1610875-93-8 1-methyl-3-propyl-5-(2,4,5-trimethoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7-(6H)-one 

Relevant articles and documents

Novel pyrrolidine or piperidine derivatives having activity for T-type calcium channel

A pyrrolidine or piperidine compound having activity for T - type calcium channel, wherein the pyrrolidine or piperidine compound of Formula 1 according to the present invention has an excellent antagonistic activity to, T-type calcium channel, and can be used as a preventive or therapeutic agent, for pain diseases, or cancer related to cancer, or cancer such as, epilepsy and,hepatic pain, angina. (by machine translation)

A 1 - methyl -3 - propyl pyrazole -5 - new process for the synthesis of the carboxylic acid (by machine translation)

The invention belongs to the field of organic synthesis, in particular to a 1 - methyl - 3 - propyl pyrazole - 5 - carboxylic acid new synthesis method. The synthesis method the new synthesis method to 2 - pentanone and oxalic acid diethyl ester as the starting material, by condensation, and methyl hydrazine cyclization, hydrolysis and the like to the three step synthesis of 1 - methyl - 3 - propyl pyrazole - 5 - carboxylic acid. The invention synthetic method, can significantly speed up the reaction rate and to improve the yield, not only reduces the cost, the protection of the environment, and the operation is simple, after treatment is convenient, and is suitable for industrial production. (by machine translation)

NOVEL COMPOUNDS FOR USE IN COGNITION IMPROVEMENT

Novel compounds for use in cognition improvement It relates to certain compounds having a polycyclic structure and a -(C=O)NRaRb moiety, wherein the polycyclic structure comprises at least three ring systems, wherein one ring system is a polycyclic ring system comprising from 2 to 4 rings; at least one ring is an aromatic ring; and wherein the structure comprises at least 3 nitrogen atoms and 1 oxygen atom. It also relates to pharmaceutical compositions containing them, and to their use in medicine, in particular in the treatment and/or prevention of neurological disorders coursing with a cognition deficit or impairment, or neurodegenerative diseases.

Novel pyrazole-5-carboxamide and pyrazole-pyrimidine derivatives: Synthesis and anticancer activity

A series of novel pyrazole-5-carboxamide and pyrazole-pyrimidine derivatives were designed and synthesized. All compounds have been screened for their antiproliferative activity against MGC-803, SGC-7901 and Bcap-37 cell lines in vitro. The results revealed that compounds 8a, 8c and 8e exhibited strong inhibitory activity against MGC-803 cell line. The flow cytometric analysis result showed that compound 8e could inhibit MGC-803 proliferation. Some title compounds were tested against telomerase, and compound 8e showed the most potent inhibitory activity with IC50 value at 1.02 ± 0.08 μM. The docking simulation of compound 8e was performed to get the probable binding model, among them, LYS 189, LYS 372, LYS 249 and ASP 254 may be the key residues for the telomerase activity.

PYRAZOLOPYRIMIDINONES FOR THE TREATMENT OF IMPOTENCE AND PROCESS FOR THE PREPARATION THEREOF

The present invention relates to Pyrazolopyrimidinone compounds as PDE5 inhibitors with better IC50 value, good in vivo efficacy and PK profile and a process for the preparation thereof. The present invention covers the pyrazolo pyrimidinone based compounds that have been designed, synthesized and screened for PDE5 inhibitory activity and its PDE5 inhibitory potential is provided in this invention. These designer compounds have shown nanomolar potency when screened for PDE5 inhibitory activity and also shown better in vivo efficacy. These compounds can be used in the treatment of male erectile dysfunction or in the treatment of impotence.

NOVEL COMPOUNDS AS DUAL INHIBITORS OF PHOSPHODIESTERASES AND HISTONE DEACETYLASES

It relates to certain compounds having a polycyclic structure and a hydroxamic acid moiety, wherein the polycyclic structure comprises at least three ring systems, wherein one ring system is a polycyclic ring system comprising from 2 to 4 rings; at least one ring is an aromatic ring; and wherein the structure comprises at least 3 nitrogen atoms and 1 oxygen atom. It also relates to a process for their preparation, as well as to pharmaceutical compositions containing them, and to their use in medicine, in particular in the treatment and/or prevention of neurological disorders coursing with a cognition deficit or impairment, or neurodegenerative diseases. wherein B1 is a radical selected from the group consisting of formula (A"), formula (B"), formula (C"), and formula (D"):

HIGHLY SELECTIVE and LONG-ACTING PDE5 MODULATORS

Disclosed herein are substituted phosphodiesterase type 5 enzyme modulators of Formula I, processes of preparation thereof, pharmaceutical compositions thereof, and methods of use thereof.

Comparison of different heterocyclic scaffolds as substrate analog PDE5 inhibitors

Several different heterocyclic systems were compared as PDE5 inhibitor scaffolds. In addition to the known 3H-imidazo[5,1-f][1,2,4]triazin-4-ones and pyrazolopyrimidinones, isomeric imidazo[1,5-a][1,3,5]triazin-4(3H)-ones were also shown to be potent and selective PDE inhibitor scaffolds with in vivo activity. SAR trends were elucidated for sulfonamide derivatives with generality across different scaffolds.

Fused 7-oxo-pyrimidinyl compounds, preparation, composition and use thereof

The present invention relates to novel antiobesity and hypocholesterolemic compounds, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. More particularly, the present invention relates to novel β-aryl-α-oxysubstituted alkylcarboxylic acids of the general formula (I), their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. The present invention also relates to a process for the preparation of the above said novel compounds, their analogs, their derivatives, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutical compositions containing them. The present invention also relates to novel intermediates, processes for their preparation and their use in the preparation of compounds of formula (I).

Synthesis of novel pyrazolopyrrolopyrazines, potential analogs of sildenafil

Synthesis of novel pyrazolopyrrolopyrazines is herein described with the aim to reach new specific PDE-5 inhibitors of potential clinical interest in male erectile dysfunction.