807624-20-0

Basic information

• Product Name: TERT-BUTYL 4-(3-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE
• Synonyms: TERT-BUTYL 4-(3-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE;4-(3-Cyano-phenyl)-piperazine-1-carboxylic acid tert-butyl ester;2-Methyl-2-propanyl 4-(3-cyanophenyl)-1-piperazinecarboxylate
• CAS NO: 807624-20-0
• Molecular Formula: C₁₆H₂₁N₃O₂
• Molecular Weight: 287.36
• Mol File: 807624-20-0.mol

Chemical Properties

• Boiling Point: 432.2±40.0 °C(Predicted)
• Appearance: /
• Density: 1.17±0.1 g/cm3(Predicted)
• PKA: 1.25±0.20(Predicted)
• CAS DataBase Reference: TERT-BUTYL 4-(3-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL 4-(3-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE(807624-20-0)
• EPA Substance Registry System: TERT-BUTYL 4-(3-CYANOPHENYL)PIPERAZINE-1-CARBOXYLATE(807624-20-0)

Safety Data

• Hazardous Substances Data: 807624-20-0(Hazardous Substances Data)

Upstream product

• 6952-59-6 3-cyanobromobenzene 
• 57260-71-6 1-t-Butoxycarbonylpiperazine 
• 557-21-1 dicyanozinc 
• 327030-39-7 1,1-dimethylethyl 4-(3-bromophenyl)piperazine-1-carboxylate 
• 31197-30-5 1-(3-bromophenyl)piperazine 
• 24424-99-5 di-tert-butyl dicarbonate 
• 69113-59-3 3-iodobenzonitrile 

Downstream Products

• 178928-58-0 3-(piperazin-1-yl)benzonitrile 
• 807624-21-1 tert-butyl 4-(3-carbamoylphenyl)piperazin-1-ylcarboxylate 
• 889948-55-4 1,1-dimethylethyl 4-[3-(aminomethyl)phenyl]piperazine-1-carboxylate 
• 935760-79-5 1,1-dimethylethyl 4-[3-({[(4-oxo-3,4-dihydroquinazolin-2-yl)carbonyl]amino}methyl)phenyl]piperazine-1-carboxylate 
• 935759-86-7 N-[(3-{4-[(2,5-dioxoimidazolidin-4-yl)acetyl]piperazin-1-yl}phenyl)methyl]-4-oxo-3,4-dihydroquinazoline-2-carboxamide 
• 935759-87-8 4-oxo-N-[(3-{4-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetyl]piperazin-1-yl}phenyl)methyl]-3,4-dihydroquinazoline-2-carboxamide 
• 935759-88-9 4-oxo-N-[(3-{4-[(5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetyl]piperazin-1-yl}phenyl)methyl]-3,4-dihydroquinazoline-2-carboxamide 
• 935759-89-0 N-({3-[4-(1H-imidazol-4-ylacetyl)piperazin-1-yl]phenyl}methyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide 
• 935759-91-4 4-oxo-N-({3-[4-(1H-tetrazol-5-ylacetyl)piperazin-1-yl]phenyl}methyl)-3,4-dihydroquinazoline-2-carboxamide 

Relevant articles and documents

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Nitrofuranyl Methyl Piperazines as New Anti-TB Agents: Identification, Validation, Medicinal Chemistry, and PK Studies

Whole-cell screening of 20,000 drug-like small molecules led to the identification of nitrofuranyl methylpiperazines as potent anti-TB agents. In the present study, validation followed by medicinal chemistry has been used to explore the structure-activity relationship. Ten compounds demonstrated potent MIC in the range of 0.17-0.0072 μM against H37Rv Mycobacterium tuberculosis (MTB) and were further investigated against nonreplicating and resistant (RifR and MDR) strains of MTB. These compounds were also tested for cytotoxicity. Among the 10 tested compounds, five showed submicromolar to nanomolar potency against nonreplicating and resistant (RifR and MDR) strains of MTB along with a good safety index. Based on their overall in vitro profiles, the solubility and pharmacokinetic properties of five potent compounds were studied, and two analogues, 14f and 16g, were found to have comparatively better solubility than others tested and acceptable pharmacokinetic properties. This study presents the rediscovery of a nitrofuranyl class of compounds with improved aqueous solubility and acceptable oral PK properties, opening a new direction for further development.

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NITROGENOUS FUSED?RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF

The present invention provides a compound having an excellent inhibitory action on activation of STAT6 and a pharmaceutical composition thereof. Inparticular, it provides a compound represented by the following formula (I), a salt thereof or a hydrate of them. In the formula, X represents a nitrogen-containing condensed aromatic heterocyclic group such as imidazo[1,2-a]pyridine, benzimidazole, quinazoline, quinoline, or 2,1-benzisoxazole and has (R4)n as substituent groups; Y represents a C3-8 cycloalkyl group, C4-8 cycloalkenyl group, 5- to 14-membered non-aromatic heterocyclic group, C6-14 aromatic hydrocarbon cyclic group or 5- to 14-membered aromatic heterocyclic group; n in (R4)n is 0, 1, 2 or 3, and Z groups independently represent (1) hydrogen atom, (2) amino group, (3) halogen atom, (4) hydroxyl group, (5) nitro group, (6) cyano group, (7) azido group, (8) formyl group, (9) hydroxyamino group, (10) sulfamoyl group, (11) guanodino group, (12) oxo group, (13) C2-6 alkenyl group, (14) C1-6 alkoxy group, (15) C1-6 alkylhydroxyamino group, (16) halogenated C1-6 alkyl group, (17) halogenated C2-6 alkenyl group, (18) (i) C3-7cycloalkyl group, (ii) C3-7cycloalkenyl group, (iii) 5- to 14-membered non-aromatic heterocyclic group, each of which may have one or more substituent groups Q, or (19) formula -M1-M2-M3, R1 represents (1) hydrogen atom, (2) halogen atom, (3) hydroxyl group, (4) nitro group, (5) cyano group, (6) halogenated C1-6 alkyl group, (7) C2-6 alkyl group substituted with a hydroxyl or cyano group, (8) C2-6 alkenyl group, or (9) formula -L1-L2-L3, and R2 represents a hydrogen atom or a protecting group; and R3 represents a hydrogen atom, halogen atom, cyano group, amino group, C1-4 alkyl group or halogenated C1-4 alkyl group.

2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists

Compounds having the structural formula I or a pharmaceutically acceptable salt thereof, wherein R is R1, R2, R3, R4 and R5 are H, alkyl or alkoxyalkyl; R6 is H, alkyl, hydroxyalkyl or —CH2F; R7, R8 and R9 are H, alkyl, alkoxy, alkylthio, alkoxyalkyl, halo or —CF3; and Z is optionally substituted aryl, heteroaryl or heteroaryl-alkyl are disclosed. Also disclosed is the use of compounds of formula I in the treatment of central nervous system diseases, in particular Parkinson's disease, alone or in combination with other agents for treating Parkinson's disease, and pharmaceutical compositions comprising them.