761443-69-0

Basic information

• Product Name: 1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE
• Synonyms: 1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE;1-Ethyloxycarbonyl-3-[4-(4-Methyl-piperazin-1-yl)-benzoylaMino]-5-Boc-4,6-dihydr;5-tert-butyl 1-ethyl 3-{[4-(4-Methylpiperazin-1-yl)benzoyl]aMino}-4,6-dihydropyrrolo[3,4-c]pyrazole-1,5-dicarboxylate;Ethyl 5-(tert-butoxycarbonyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydropyrrolo[3,4-c]pyrazole-1-carboxylate;3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-4,6-dihydro-pyrrolo[3,4-c]pyrazole-1,5-
• CAS NO: 761443-69-0
• Molecular Formula: C₂₅H₃₄N₆O₅
• Molecular Weight: 498.57
• Mol File: 761443-69-0.mol
• Article Data: 4

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE(761443-69-0)
• EPA Substance Registry System: 1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE(761443-69-0)

Safety Data

• Hazardous Substances Data: 761443-69-0(Hazardous Substances Data)

Usage

Description

1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE is a complex chemical compound featuring a pyrrolopyrazole ring with various substituents, including ethyloxycarbonyl, piperazinyl, and benzyloxy groups. The presence of a BOC (tert-butoxycarbonyl) protecting group further characterizes this molecule. It is a promising drug candidate with potential applications in therapeutics, possibly as an anti-cancer or anti-inflammatory agent. Its intricate structure and functional groups suggest a range of pharmacological activities and biological relevance, making it a significant subject of interest in the fields of medicinal chemistry and drug discovery.

Uses

Used in Pharmaceutical Industry:
1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE is used as a potential drug candidate for its possible anti-cancer or anti-inflammatory properties, due to its complex structure and functional groups that may contribute to its pharmacological activity.
Used in Medicinal Chemistry Research:
In the field of medicinal chemistry, 1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE serves as a subject of interest for its potential to be developed into new therapeutic agents, given its unique molecular structure and the presence of a BOC protecting group that may be relevant to its synthesis and modification for various applications.
Used in Drug Discovery:
1-ETHYLOXYCARBONYL-3-[4-(4-METHYL-PIPERAZIN-1-YL)-BENZOYLAMINO]-5-BOC-4,6-DIHYDRO-PYRROLO[3,4-C]PYRAZOLE is utilized in drug discovery processes to explore its potential as a lead compound for the development of new medications, particularly in areas where its anti-cancer or anti-inflammatory properties could be beneficial.

Upstream product

• 398495-65-3 3-amino-4,6-dihydro-pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid 5-tert-butyl ester 1-ethyl ester 
• 401495-67-8 4-(4-methylpiperazin-4-ium-1-yl)benzoyl chloride 
• 398491-59-3 3-amino-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester 
• 266353-19-9 [tert-butoxycarbonyl-(2-cyanoethyl)amino]acetic acid methyl ester 
• 3088-42-4 N-(2-cyanoethyl)glycine 
• 44915-39-1 [(2-cyanoethyl)amino]acetic acid methyl ester 
• 175463-32-8 3-cyano-4-oxopyrrolidine-1-carboxylic acid tert-butyl ester 
• 354813-15-3 4-(4-methylpiperazin-1-yI)benzoic acid 
• 266353-18-8 N-tert-butoxycarbonyl-2-(2-cyanoethyl)aminoacetic acid ethyl ester 
• 44981-94-4 N-cyanoethyl glycine ethyl ester 

Downstream Products

• 916995-51-2 danusertib 
• 916995-51-2 PHA₇₃₉₃₅₈ 
• 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 
• 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 
• 916995-45-4 5-(fluoro-phenyl-acetyl)-3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester 
• 916995-46-5 3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5-(2-phenyl-propionyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester 
• 916995-47-6 3-[4-(4-methyl-piperazin-1-yl)-benzoylamino]-5-(2-phenyl-propionyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylic acid ethyl ester 
• 827318-96-7 5-[(2R)-2-hydroxy-2-phenylethanoyl]-3-{[4-(4-methylpiperazin-1-yl)benzoyl]amino}-5,6-dihydropyrrolo[3,4-c]pyrazole-1(4H)-carboxylate 
• 850997-37-4 ethyl 5-(2,6-diethylphenylcarbamoyl)-3-[4-(4-methylpiperazin-1-yl)benzoylamino]-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-1-carboxylate 
• 761443-50-9 3-[4-(N-methylpiperazin-1-yl)benzamido]-1-ethoxycarbonyl-4,6-dihydropyrrolo[3,4-c]pyrazole 

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.

Potent and selective aurora inhibitors identified by the expansion of a novel scaffold for protein kinase inhibition

Potent and selective Aurora kinase inhibitors were identified from the combinatorial expansion of the 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole bi-cycle, a novel and versatile scaffold designed to target the ATP pocket of protein kinases. The most potent c