Syk Inhibitor II

Base Information

• Chemical Name: Syk Inhibitor II
• CAS No.: 726695-51-8
• Molecular Formula: C₁₄H₁₅F₃N₆O
• Molecular Weight: 340.308
• UNII: DHY3UC4XFH
• Wikidata: Q27088900
• Pharos Ligand ID: J377PS2AASJT
• ChEMBL ID: CHEMBL471901
• Mol file: 726695-51-8.mol

Synonyms:Syk Inhibitor II;726695-51-8;K00592a;DHY3UC4XFH;CHEMBL471901;2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;2-((2-Aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxamide;5-Pyrimidinecarboxamide,2-[(2-aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-;2-(2-AMINOETHYL)AMINO-4-3-(TRIFLUOROMETHYL)PHENYLAMINO-;2-((2-Aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)-5-pyrimidinecarboxamide;2-(2-Aminoethylamino)-4-(3-(trifluoromethyl)anilino)pyrimidine-5-carboxamide;2-[(2-Aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-5-pyrimidinecarboxamide;2-[(2-aminoethyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrimidine-5-carboxamide;5-Pyrimidinecarboxamide, 2-((2-aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)-;5-Pyrimidinecarboxamide, 2-[(2-aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-;UNII-DHY3UC4XFH;D0T4MJ;GTPL6047;SCHEMBL1222899;FQNFLNSVHWCZML-UHFFFAOYSA-N;BEB69551;BDBM50249319;HY-112390A;MS-25184;CS-0079263;N16847;Q27088900;2-(2-aminoethylamino)-4-(3-(trifluoromethyl)phenylamino)pyrimidine-5-carboxamide

Chemical Property of Syk Inhibitor II

Chemical Property:

• PSA: 118.95000
• LogP: 3.25510
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 340.12594361
• Heavy Atom Count: 24
• Complexity: 422

Purity/Quality:

98% ^*data from raw suppliers

SykinhibitorII >98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)NC2=NC(=NC=C2C(=O)N)NCCN)C(F)(F)F

Technology Process of Syk Inhibitor II

There total 5 articles about Syk Inhibitor II 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: 98.0%

2-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)-4-((3-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxamide (227449-50-5) + ethylenediamine (107-15-3,85404-18-8) → 2-(2-aminoethylamino)-4-(3-trifluoromethylanilino)primidine-5-carboxamide (726695-51-8)

Guidance literature:

In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1016/j.bmc.2005.05.033

Reference yield:

2-chloro-4-(3-trifluoromethylanilino)pyrimidine-5-carboxylic acid (227449-28-7) → 2-(2-aminoethylamino)-4-(3-trifluoromethylanilino)primidine-5-carboxamide (726695-51-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / 1,2-dichloro-ethane / 0.5 h / 20 °C

1.2: 52 percent / aq. ammonia / 1,2-dichloro-ethane / 1 h / 20 °C

2.1: 98 percent / acetonitrile / 0.5 h / 20 °C

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,2-dichloro-ethane; acetonitrile;

DOI:10.1016/j.bmc.2005.05.033

Reference yield:

ethyl 2-chloro-4-(3-trifluoromethylanilino)pyrimidine-5-carboxylate (227449-11-8) → 2-(2-aminoethylamino)-4-(3-trifluoromethylanilino)primidine-5-carboxamide (726695-51-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: NaOH / methanol / 1 h / 50 °C

2.1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride / 1,2-dichloro-ethane / 0.5 h / 20 °C

2.2: 52 percent / aq. ammonia / 1,2-dichloro-ethane / 1 h / 20 °C

3.1: 98 percent / acetonitrile / 0.5 h / 20 °C

With sodium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In methanol; 1,2-dichloro-ethane; acetonitrile;

DOI:10.1016/j.bmc.2005.05.033

upstream raw materials:

2-((1H-benzo[d][1,2,3]triazol-1-yl)oxy)-4-((3-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxamide

ethylenediamine

2-chloro-4-(3-trifluoromethylanilino)pyrimidine-5-carboxylic acid

ethyl 2-chloro-4-(3-trifluoromethylanilino)pyrimidine-5-carboxylate

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