Cas no 956025-83-5 (3MB-PP1)

3MB-PP1 structure
3MB-PP1 structure
Product Name:3MB-PP1
CAS No:956025-83-5
MF:C17H21N5
MW:295.382142782211
CID:802666
PubChem ID:24865390
Update Time:2024-10-25

3MB-PP1 Chemical and Physical Properties

Names and Identifiers

    • 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine
    • 1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-(1,1-dimethylethyl)-3-[(3-methylphenyl)methyl]-
    • 1-tert-Butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    • 1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
    • 2wei
    • VGG
    • 3MB-PP1
    • 1-(1,1-Dimethylethyl)-3-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine (ACI)
    • NQZ-008
    • PD004201
    • 1-tert-Butyl-3-((3-methylphenyl)methyl)pyrazolo(3,4-d)pyrimidin-4-amine
    • 1-(tert-butyl)-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    • 4-amino-1-t-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine
    • 1-tert-Butyl-3-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    • Q27097886
    • 956025-83-5
    • DB08699
    • DB-349050
    • AC-26930
    • 1-(1,1-Dimethylethyl)-3-[(3-methylphenyl)methyl]-1H-Pyrazolo[3,4-d]pyrimidin-4-amine
    • SCHEMBL12436052
    • CS-0022947
    • 4-Amino-1-tert-butyl-(3-methylbenzyl)pyrazolo[3,4-D]pyrimidine
    • DTXSID20647754
    • CHEMBL1236661
    • 1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 1-(1,1-dimethylethyl)-3-((3-methylphenyl)methyl)-
    • HY-102069
    • UNII-LP62329LQ7
    • G64148
    • W-204130
    • 4lgg
    • NS00071659
    • 3-MB-PP1
    • LP62329LQ7
    • MS-24230
    • AKOS025401891
    • Inchi: 1S/C17H21N5/c1-11-6-5-7-12(8-11)9-13-14-15(18)19-10-20-16(14)22(21-13)17(2,3)4/h5-8,10H,9H2,1-4H3,(H2,18,19,20)
    • InChI Key: FYCOTGCSHZKHPR-UHFFFAOYSA-N
    • SMILES: N1C(N)=C2C(CC3C=C(C)C=CC=3)=NN(C2=NC=1)C(C)(C)C

Computed Properties

  • Exact Mass: 295.18000
  • Monoisotopic Mass: 295.17969569g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 380
  • 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
  • Surface Charge: 0
  • Tautomer Count: 9
  • XLogP3: 3
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.209
  • Melting Point: 136-1380C
  • Boiling Point: 475.471°C at 760 mmHg
  • Flash Point: 241.356°C
  • Refractive Index: 1.64
  • PSA: 69.62000
  • LogP: 3.64390

3MB-PP1 Pricemore >>

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3MB-PP1 Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Thionyl chloride
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 2

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 gondii
Lourido, Sebastian; Zhang, Chao; Lopez, Michael S.; Tang, Keliang; Barks, Jennifer; et al, Journal of Medicinal Chemistry, 2013, 56(7), 3068-3077

Production Method 3

Reaction Conditions
Reference
Preparation of adenosine analogs and its use in regulating the circadian clock rhythm
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
Reference
Aminopyrazolopyrimidines and related compounds useful for inhibition of alpha-synuclein toxicity and their preparation
, World Intellectual Property Organization, , ,

3MB-PP1 Raw materials

3MB-PP1 Preparation Products

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