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

General Description

The chemical 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 complex compound with a long, systematic name. It is a synthetic organic compound that contains a piperazinyl group and a benzamide group. The compound also features a tetrahydro pyrrolopyrazol ring system with a methoxyphenylacetyl substituent. It may have potential applications in medicinal chemistry and drug development due to its unique and complex structure, which could potentially interact with biological targets in novel ways. Further research and studies are needed to fully understand the properties and potential uses of this chemical compound.

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