Molecular Details

DICL_CP_0322910 - 1-tert-butyl-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0322910

PubChem CID

1400

Molecular Formula

C₁₆H₁₉N₅

Molecular Weight

281.363 g/mol

Synonyms/Alias

[172889-26-8; PP1; 1-(tert-Butyl)-3-(p-tolyl)-1H-pyrazolo[3;4-d]pyrimidin-4-amine; PP 1; PYRAZOLOPYRIMIDINE 1; PP-1; 1-tert-butyl-3-(4-methylphenyl)pyrazolo[3;4-d]pyrimidin-4-amine; 1-tert-butyl-3-(4-...[172889-26-8; PP1; 1-(tert-Butyl)-3-(p-tolyl)-1H-pyrazolo[3;4-d]pyrimidin-4-amine; PP 1; PYRAZOLOPYRIMIDINE 1; PP-1; 1-tert-butyl-3-(4-methylphenyl)pyrazolo[3;4-d]pyrimidin-4-amine; 1-tert-butyl-3-(4-methylphenyl)-1h-pyrazolo[3;4-d]pyrimidin-4-amine; SA2ND7EHY4; PP-1 (enzyme Inhibitor); 1H-Pyrazolo[3;4-d]pyrimidin-4-amine;1-(1;1-dimethylethyl)-3-(4-methylphenyl)-; CHEMBL306380; 1-ter-butyl-3-p-tolyl-1h-pyrazolo[3;4-d]pyrimidin-4-ylamine; 1-tert-butyl-3-p-tolyl-1H-pyrazolo[3;4-d]pyrimidin-4-amine; AGL-1872; EI-275; MFCD01076570; 4-AMINO-1-TERT-BUTYL-3-(4-METHYLPHENYL)PYRAZOLO[3;4-D]PYRIMIDINE; 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)-; 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; 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; AMY14210; BCP07604; AGL 1872;EI 275; HB1334; s7060; AKOS005080619; PP1; >=98% (HPLC); CCG-100628; CS-1662; DB01809; 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; J-010857; BRD-K47598052-001-04-2; BRD-K47598052-001-06-7; 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; 1-tert-butyl-3-(p-tolyl)-1h-pyrazolo[3;4-d]pyrimidin-4-amine; 4-Amino-5-(methylphenyl)-7-(tert.butyl)pyrazolo-(3;4-d)pyrimidine]

InChI Key

ZVPDNRVYHLRXLX-UHFFFAOYSA-N

InChI

InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17...

IUPAC Name

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

CAS Number

172889-26-8

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

21 23 0 0 0 0 0 0 0 0999 V2000
-6.2338 -0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7368 -0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0697 0...

Download SDF File (1896 bytes)

Experimental Data

Activity Data

Target Ion Channel

Potassium voltage-gated channel subfamily A member 3

Uniprot Accession Number

P15384

Function

Agonist

Species

Rattus norvegicus (Rat)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 450 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.2

Holding Potential

−80 to 40 mV mV

Temperature

Room Temperature

Test Method

Patch-clamping

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1124/mol.105.015669

URL

N/A (Not available)

PMID

16099841

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.1389

Complexity

84.9044

TPSA (Å²)

69.62

H-Bond Donors

H-Bond Acceptors

Ring Count

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