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1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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Identification
Molecular formula
C16H20N4
CAS number
566939-85-3
IUPAC name
1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine
State
State
The compound is typically a solid at room temperature. It appears as crystalline, confirming its solid state under standard conditions.
Melting point (Celsius)
225.50
Melting point (Kelvin)
498.60
Boiling point (Celsius)
516.60
Boiling point (Kelvin)
789.80
General information
Molecular weight
275.36g/mol
Molar mass
275.3390g/mol
Density
1.2500g/cm3
Appearence

The compound is a solid with a crystalline structure, typically white or off-white in appearance. It's important to note that the color and texture may slightly vary depending on the presence of impurities or specific polymorphs.

Comment on solubility

Solubility of 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine

The solubility of 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine (C16H20N4) is an essential aspect to consider in various applications, particularly in drug development and formulation. Here is a detailed overview of its solubility characteristics:

  • Aqueous Solubility: This compound typically exhibits low solubility in water due to its bulky hydrophobic groups, which hinder effective interaction with water molecules.
  • Solvent Compatibility: It is more soluble in organic solvents such as dimethyl sulfoxide (DMSO) and ethanol, making these solvents preferable for experimental applications.
  • pH Impact: The solubility may vary with pH, as the presence of amine groups can become protonated in acidic conditions, potentially increasing solubility in such media.
  • Temperature Influence: An increase in temperature generally enhances solubility; thus, careful consideration of thermal conditions during experiments is advisable.

In conclusion, understanding the solubility profile of this compound is critical for its practical use. As highlighted, low aqueous solubility and enhanced solubility in organic solvents are major traits to consider for optimal application strategies.

Interesting facts

Interesting Facts about 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine

The compound 1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine is a fascinating member of the pyrazolo-pyrimidine family, known for its unique structure and diverse applications in medicinal chemistry. Here are some insights:

  • Diverse Biological Activity: Compounds in this class have been studied for their potential to act as inhibitors for various enzymes, particularly those involved in cancer pathways, making them of great interest in cancer research.
  • Pharmacophore Features: The combination of the pyrazolo and pyrimidine rings contributes to their biochemical properties, making them suitable candidates for developing selective inhibitors.
  • Synthetic Versatility: The synthesis of this compound showcases the versatility of organic reactions. Scientists can explore different methodologies to create derivatives with improved efficacy and reduced side effects.
  • Structure-Activity Relationship (SAR): Analyzing the effects of substituents, like the tert-butyl and p-tolyl groups, provides critical insights into how structural changes influence biological activity and can guide future drug design.
  • Real-World Applications: Beyond oncology, researchers are investigating the broader implications of this compound in treating neurodegenerative diseases, underscoring the importance of continued exploration in this area.

As one delves into the world of pyrazolo[3,4-d]pyrimidines, it's essential to appreciate not only their structural complexity but also their vast potential in drug discovery and development. In the words of many chemists, "Creativity defines the path to innovation," and compounds like this inspire innovation in the realm of pharmaceuticals.

Synonyms
172889-26-8
PP1
1-(tert-Butyl)-3-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
PP 1
PYRAZOLOPYRIMIDINE 1
1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PP-1
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(4-methylphenyl)-
MFCD01076570
SA2ND7EHY4
PP-1 (enzyme inhibitor)
1-ter-butyl-3-p-tolyl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine
1-tert-butyl-3-(4-methylphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CHEMBL306380
1-tert-butyl-3-p-tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
4-AMINO-1-TERT-BUTYL-3-(4-METHYLPHENYL)PYRAZOLO[3,4-D]PYRIMIDINE
AGL-1872
EI-275
1-(1,1-DIMETHYLETHYL)-1-(4-METHYLPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE
1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-(1,1-Dimethylethyl)-3-(4-methylphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-(4-methylphenyl)-
1-Ter-Butyl-3-P-Tolyl-1h-Pyrazolo(3,4-D)Pyrimidin-4-Ylamine
4fev
ZVPDNRVYHLRXLX-UHFFFAOYSA-N
1-(1,1-Dimethylethyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; AGL 1872; PP1;
C16H19N5
Kinome_2004
pp1?
BiomolKI_000024
UNII-SA2ND7EHY4
BiomolKI2_000032
cid_1400
CBiol_001915
Oprea1_734810
BSPBio_001034
KBioGR_000374
KBioSS_000374
ksc-8-189
MLS000326642
SCHEMBL407934
BMK1-C12
GTPL8836
BCBcMAP01_000234
BDBM25116
KBio2_000374
KBio2_002942
KBio2_005510
KBio3_000727
KBio3_000728
DTXSID60274306
EX-A344
Bio1_000201
Bio1_000690
Bio1_001179
Bio2_000357
Bio2_000837
HMS1362D15
HMS1792D15
HMS1990D15
HMS2191A04
HMS3267F12
HMS3403D15
HMS3412M08
HMS3652F20
HMS3673K19
HMS3676M08
HMS3742E09
KUC105857N
AGL 1872
BCP07604
AGL 1872;EI 275
HB1334
s7060
AKOS005080619
PP1, >=98% (HPLC)
CCG-100628
CS-1662
DB01809
FA17425
MB01692
IDI1_002112
QTL1_000067
NCGC00163376-01
NCGC00163376-02
NCGC00163376-03
NCGC00163376-14
12L-341S
AC-32819
HY-13804
SMR000179220
NS00068894
SW220208-1
VU0205191-1
M02255
Src Inhibitor, PP1 - CAS 172889-26-8
BRD-K47598052-001-04-2
BRD-K47598052-001-06-7
BRD-K47598052-001-14-1
BRD-K47598052-001-15-8
Q27088427
1-tert-butyl-3-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine
1-tert-butyl-3-(4-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine
4-Amino-5-(methylphenyl)-7-(tert.butyl)pyrazolo-(3,4-d)pyrimidine
1-(1,1-Dimethylethyl)-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;AGL 1872;4-Amino-1-tert-butyl-3-(4-methylphenyl)pyrazol o[3,4-d]pyrimidin