916995-51-2

Basic information

• Product Name: 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide
• Synonyms: 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide;BenzaMide, 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-Methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]-;N-[5-[(2S)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
• CAS NO: 916995-51-2
• Molecular Formula: C26H30N6O3
• Molecular Weight: 474.55
• Mol File: 916995-51-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 664.149 °C at 760 mmHg
• Flash Point: 355.465 °C
• Appearance: /
• Density: 1.322
• CAS DataBase Reference: 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide(916995-51-2)
• EPA Substance Registry System: 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide(916995-51-2)

Safety Data

• Hazardous Substances Data: 916995-51-2(Hazardous Substances Data)

Usage

Description

4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide is a synthetic organic compound characterized by its complex structure, which includes a piperazinyl group, a benzamide group, and a tetrahydro pyrrolopyrazol ring system with a methoxyphenylacetyl substituent. This intricate arrangement of functional groups may endow the compound with unique properties and potential interactions with biological targets, making it a candidate for exploration in medicinal chemistry and drug development.

Uses

Used in Medicinal Chemistry:
4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide is used as a compound of interest in medicinal chemistry for its potential to interact with biological targets in novel ways due to its complex structure. The presence of the piperazinyl and benzamide groups, along with the tetrahydro pyrrolopyrazol ring system, suggests that it could be a promising candidate for the development of new therapeutic agents.
Used in Drug Development:
In the field of drug development, 4-(4-Methyl-1-piperazinyl)-N-[1,4,5,6-tetrahydro-5-[(2S)-2-methoxy-2-phenylacetyl]pyrrolo[3,4-c]pyrazol-3-yl]benzamide is utilized as a starting point for the design and synthesis of new pharmaceuticals. Its unique structural features may allow for the creation of drugs with specific mechanisms of action, potentially leading to more effective treatments for various diseases and conditions.
Further research and studies are necessary to fully understand the properties and potential uses of this chemical compound, as its complex nature may offer new avenues for therapeutic intervention and drug discovery.

Upstream product

• 827318-78-5 5-((R)-2-methoxy-2-phenylacetyl)-3-[4-(4-methylpiperazin-1-yl)benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester 
• 398491-59-3 3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester 
• 398495-65-3 3-amino-4,6-dihydro-pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid 5-tert-butyl ester 1-ethyl ester 
• 761443-69-0 5-tert-butyl 1-ethyl 3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate 
• 3966-32-3 (R)-methoxyphenylacetic acid 
• 34713-98-9 (R)-(-)-α-methoxyphenylacetyl chloride 
• 611-71-2 MANDELIC ACID 
• 266353-18-8 N-tert-butoxycarbonyl-2-(2-cyanoethyl)aminoacetic acid ethyl ester 
• 175463-32-8 3-cyano-4-oxopyrrolidine-1-carboxylic acid tert-butyl ester 
• 761443-50-9 3-[4-(N-methylpiperazin-1-yl)benzamido]-1-ethoxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole 
• 3088-42-4 N-(2-cyanoethyl)glycine 
• 44981-94-4 N-cyanoethyl glycine ethyl ester 
• 916995-48-7 5-(methoxy-phenyl-acetyl)-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester 
• 26164-26-1 (S)-2-methoxy-2-phenylacetic acid 

Relevant articles and documents

(R)- N - [5 - (2 - methoxy - 2 - phenyl-acetyl) - 1, 4, 5, 6 - tetrahydro-pyrrolo [3, 4 - c] pyrazole - 3 - yl] - 4 - (4 - methyl piperazine - 1 - yl) benzamide synthesis method

The invention belongs to the technical field of medicine and relates to a preparation method for PHA739358(Danusertib), i.e., (R)-N-[5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-yl]-4-(4-methyl piperazine-1-yl)benzamide. According to the invention, altogether four reaction routes are designed, simple and easily available glycine is used as a raw material, reactions like addition, esterification, amino protection and cyclization are carried out so as to prepare (R)-N-[5-(2-methoxy-2-phenylacetyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole-3-yl]-4-(4-methyl piperazine-1-yl)benzamide, yield of the route 1, 2 and 4 is more than 25%, respectively, and yield of the route 3 is more than 20%. The preparation method has the advantages of a few reaction steps, simple and convenient post-treatment operation, little time consumption, high yield and low total cost. Thus, a novel method is provided for preparation of the antitumor drug PHA739358.

1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazoles: Identification of a potent aurora kinase inhibitor with a favorable antitumor kinase inhibition profile

The optimization of a series of 5-phenylacetyl 1,4,5,6-tetrahydropyrrolo[3, 4-c]pyrazole derivatives toward the inhibition of Aurora kinases led to the identification of compound 9d. This is a potent inhibitor of Aurora kinases that also shows low nanomol