- A small molecule inhibitor selective for a variant ATP-binding site of the chaperonin GroELChapman, Eli; Farr, George W.; Furtak, Krystyna; Horwich, Arthur L., Bioorganic & Medicinal Chemistry Letters, 2009, 19(3), 811-813
Cas no 956025-99-3 (3BrB-PP1)
3BrB-PP1 structure
Product Name:3BrB-PP1
CAS No:956025-99-3
MF:C16H18BrN5
MW:360.251621723175
CID:1059543
PubChem ID:24865027
Update Time:2024-10-25
3BrB-PP1 Chemical and Physical Properties
Names and Identifiers
-
- 4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine
- 3-[(3-bromophenyl)methyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
- 3-BrB-PP1
- 3-[(3-Bromophenyl)methyl]-1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 3-[(3-Bromophenyl)methyl]-1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (ACI)
- 3BrB-PP1
- 3-(3-Bromobenzyl)-1-Tert-Butyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
- CHEMBL1232415
- HY-115741
- 3-[(3-bromophenyl)methyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-amine
- DTXSID40647751
- PD192906
- SCHEMBL12436053
- MS-25684
- 3-[(3-Bromophenyl)methyl]-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- 956025-99-3
- CS-0255140
- Q27459781
- starbld0006565
- G13874
- CHEBI:194136
- 3-(3-Bromobenzyl)-1-(tert-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- DXR
- DB-295106
- AKOS040758492
- 1-tert-Butyl-3-(3-bromobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine
-
- Inchi: 1S/C16H18BrN5/c1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10/h4-7,9H,8H2,1-3H3,(H2,18,19,20)
- InChI Key: FTICVONBLRGQJW-UHFFFAOYSA-N
- SMILES: BrC1C=C(CC2C3C(=NC=NC=3N)N(C(C)(C)C)N=2)C=CC=1
Computed Properties
- Exact Mass: 359.07500
- Monoisotopic Mass: 359.07456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 385
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.62000
- LogP: 4.09800
3BrB-PP1 Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A602985-10mg |
4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine |
956025-99-3 | 10mg |
$ 234.00 | 2023-09-08 | ||
| TRC | A602985-100mg |
4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine |
956025-99-3 | 100mg |
$ 1774.00 | 2023-09-08 | ||
| MedChemExpress | HY-115741-1mg |
3BrB-PP1 |
956025-99-3 | ≥99.0% | 1mg |
¥980 | 2025-04-15 | |
| MedChemExpress | HY-115741-10mg |
3BrB-PP1 |
956025-99-3 | ≥99.0% | 10mg |
¥3150 | 2025-04-15 | |
| MedChemExpress | HY-115741-25mg |
3BrB-PP1 |
956025-99-3 | ≥99.0% | 25mg |
¥6250 | 2024-04-15 | |
| MedChemExpress | HY-115741-50mg |
3BrB-PP1 |
956025-99-3 | ≥99.0% | 50mg |
¥9800 | 2024-04-15 | |
| A2B Chem LLC | AJ16991-50mg |
4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine |
956025-99-3 | 99% | 50mg |
$1925.00 | 2024-07-18 | |
| A2B Chem LLC | AJ16991-100mg |
4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine |
956025-99-3 | 99% | 100mg |
$2835.00 | 2024-07-18 | |
| A2B Chem LLC | AJ16991-5mg |
4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine |
956025-99-3 | ≥99.0% | 5mg |
$336.00 | 2023-12-29 | |
| A2B Chem LLC | AJ16991-10mg |
4-Amino-1-tert-butyl-3-(3-bromobenzyl)pyrazolo[3,4-d]pyrimidine |
956025-99-3 | 99 | 10mg |
$439.00 | 2024-07-18 |
3BrB-PP1 Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Tetrahydrofuran ; 0 - 23 °C
1.2 Reagents: Dimethyl sulfate , Sodium bicarbonate Solvents: 1,4-Dioxane , Water ; reflux
1.3 Solvents: Ethanol ; reflux
1.4 180 °C
1.2 Reagents: Dimethyl sulfate , Sodium bicarbonate Solvents: 1,4-Dioxane , Water ; reflux
1.3 Solvents: Ethanol ; reflux
1.4 180 °C
Reference
Production Method 2
Reaction Conditions
1.1 overnight, 150 °C
Reference
- Discovery of a potent protein kinase D inhibitor: insights in the binding mode of pyrazolo[3,4-d]pyrimidine analoguesVerschueren, Klaas; Cobbaut, Mathias; Demaerel, Joachim; Saadah, Lina; Voet, Arnout R. D.; et al, MedChemComm, 2017, 8(3), 640-646
Production Method 3
Reaction Conditions
1.1 8 h, 160 - 180 °C
Reference
- Optimizing Small Molecule Inhibitors of Calcium-Dependent Protein Kinase 1 to Prevent Infection by Toxoplasma gondiiLourido, Sebastian; Zhang, Chao; Lopez, Michael S.; Tang, Keliang; Barks, Jennifer; et al, Journal of Medicinal Chemistry, 2013, 56(7), 3068-3077
Production Method 4
Reaction Conditions
1.1 Reagents: Thionyl chloride
1.2 -
1.3 Reagents: Trimethylsilyldiazomethane
1.4 -
1.5 -
1.2 -
1.3 Reagents: Trimethylsilyldiazomethane
1.4 -
1.5 -
Reference
- Preparation of pyrazolopyrimidinamines as modulators of protein trafficking, World Intellectual Property Organization, , ,
Production Method 5
Reaction Conditions
Reference
- Aminopyrazolopyrimidines and related compounds useful for inhibition of alpha-synuclein toxicity and their preparation, World Intellectual Property Organization, , ,
3BrB-PP1 Raw materials
- Tert-Butylhydrazine hydrochloride
- Tert-butylhydrazine
- 5-Amino-1-tert-butyl-3-(3-bromobenzyl)-1H-pyrazole-4-carbonitrile
- Formamide
- 3-Bromophenylacetic acid
- 3-Bromophenylacetyl Chloride
3BrB-PP1 Preparation Products
3BrB-PP1 Related Literature
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
956025-99-3 (3BrB-PP1) Related Products
- 158001-19-5(1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-(phenylmethyl)-6-(4-pyridinyl)-)
- 956026-24-7(4-Amino-1-tert-butyl-3-(2,3-dimethylbenzyl)pyrazolo3,4-dpyrimidine)
- 1246816-12-5(4-Amino-1-tert-butyl-3-(3-ethyl)pyrazolo3,4-dpyrimidine)
- 221244-14-0(4-Amino-1-tert-butyl-3-(1’-naphthylmethyl)pyrazolo3,4-dpyrimidine)
- 833481-71-3(Phenol, 4-[[4-amino-1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl]-)
- 833481-68-8(Phenol, 3-[[4-amino-1-(1,1-dimethylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl]-)
- 172889-26-8(PP1)
- 956025-83-5(3MB-PP1)
- 833481-73-5(2OH-Bnpp1)
- 186895-85-2(4-Amino-1-tert-butyl-3-benzylpyrazolo3,4-dpyrimidine)
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