2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine

Base Information

Chemical Name:2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
CAS No.:212779-48-1
Molecular Formula:C16H19ClN6O
Molecular Weight:346.81
Hs Code.:
European Community (EC) Number:690-619-8
DSSTox Substance ID:DTXSID80274388
Wikidata:Q27076720
Pharos Ligand ID:MPWJW1641ZH9
Metabolomics Workbench ID:151465
ChEMBL ID:CHEMBL311228
Mol file:212779-48-1.mol

Synonyms:212779-48-1;NG 52;compound 52;NG-52;2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE;2-((6-((3-chlorophenyl)amino)-9-isopropyl-9H-purin-2-yl)amino)ethan-1-ol;NG 52 (Compound 52 );CHEMBL311228;NG52;2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol;compound 52 [PMID: 9677190];OLP;2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)ethan-1-ol;compound52;3bpr;Compound 52;2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine;D0R8LM;GTPL5955;SCHEMBL1181087;DTXSID80274388;2,6,9-Trisubstitute purine, 2;HMS3229E14;BCP15154;BDBM50113707;HSCI1_000070;MFCD02179196;s6540;AKOS026750316;CCG-206834;CS-1187;DB08325;NCGC00378928-02;AC-35235;AS-77220;HY-15154;K00015;K00222;BRD-K02909970-001-01-9;BRD-K02909970-001-02-7;Q27076720;2-(6-(3-chlorophenylamino)-9-isopropyl-9H-purin-2-ylamino)ethanol;2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol;2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol;2-{[(6Z)-6-[(3-chlorophenyl)imino]-9-(1-methylethyl)-6,9-dihydro-3H-purin-2-yl]amino}ethanol

Suppliers and Price of 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

DC Chemicals
NG52(Compound52) >98%
100 mg
$ 350.00

DC Chemicals
NG52(Compound52) >98%
250 mg
$ 650.00

Crysdot
NG52 98+%
50mg
$ 550.00

Crysdot
NG52 98+%
100mg
$ 716.00

Crysdot
NG52 98+%
10mg
$ 182.00

Crysdot
NG52 98+%
5mg
$ 102.00

ChemScene
NG52 99.97%
10mg
$ 336.00

ChemScene
NG52 99.97%
5mg
$ 187.00

ChemScene
NG52 99.97%
100mg
$ 1320.00

ChemScene
NG52 99.97%
50mg
$ 1014.00

Total 21 raw suppliers

Chemical Property of 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine

Chemical Property:

Boiling Point:587.7±60.0 °C(Predicted)
PKA:14.54±0.10(Predicted)
PSA：91.12000
Density:1.42±0.1 g/cm3(Predicted)
LogP:2.70330
Storage Temp.:−20°C
Solubility.:methylene chloride: 50 mg/mL, clear, colorless
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:346.1308869
Heavy Atom Count:24
Complexity:401

Purity/Quality:

99%, ^*data from raw suppliers

NG52(Compound52) >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 40-68
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)N1C=NC2=C(N=C(N=C21)NCCO)NC3=CC(=CC=C3)Cl
Description NG 52 is a tri-substituted purine that binds to the ATP-binding site of yeast cyclin-dependent kinases, inhibiting Cdc28p and Pho85p (IC50s = 7 and 2 μM, respectively). It is ineffective against the yeast kinases Kin28p, Srb10, and Cak1p. NG 52 is cell permeable and inhibits the growth of S. cerevisiae (GI50 = 30 μM). It is an analog of purvalanol A , a potent inhibitor of mammalian cyclin-dependent kinases.

Technology Process of 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine

There total 4 articles about 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.3%

: 141-43-5
ethanolamine

: 190654-78-5
(2-chloro-9-isopropyl-9H-purin-6-yl)(3-chlorophenyl)amine

: 212779-48-1
NG-52

Guidance literature:: In butan-1-ol; at 110 ℃; for 5h;
DOI:10.1002/1521-4184(200112)334:11<345::AID-ARDP345>3.0.CO;2-1

Reference yield:

: 108-42-9
3-chloro-aniline

: 212779-48-1
NG-52

Guidance literature:: Multi-step reaction with 3 steps

1.1: 81.1 percent / butan-1-ol / 20 h / 90 °C

2.1: NaH / dimethylformamide / 1 h / 20 °C

2.2: 94 percent / dimethylformamide / 24 h

3.1: 74.3 percent / butan-1-ol / 5 h / 110 °C

With sodium hydride; In N,N-dimethyl-formamide; butan-1-ol;
DOI:10.1002/1521-4184(200112)334:11<345::AID-ARDP345>3.0.CO;2-1

Reference yield:

: 5451-40-1
2,6 dichloropurine

: 212779-48-1
NG-52

Guidance literature:: Multi-step reaction with 3 steps

1.1: 81.1 percent / butan-1-ol / 20 h / 90 °C

2.1: NaH / dimethylformamide / 1 h / 20 °C

2.2: 94 percent / dimethylformamide / 24 h

3.1: 74.3 percent / butan-1-ol / 5 h / 110 °C

With sodium hydride; In N,N-dimethyl-formamide; butan-1-ol;
DOI:10.1002/1521-4184(200112)334:11<345::AID-ARDP345>3.0.CO;2-1