N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-YL)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide

Base Information

• Chemical Name: N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-YL)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide
• CAS No.: 702674-56-4
• Molecular Formula: C20H23BrN8O
• Molecular Weight: 471.36
• European Community (EC) Number: 809-821-6
• UNII: Y7RG737FY6
• ChEMBL ID: CHEMBL3916849
• DSSTox Substance ID: DTXSID30471901
• Nikkaji Number: J2.190.924F
• Pharos Ligand ID: CX35QBRS94WS
• Wikidata: Q27075611
• Wikipedia: BX-912
• Mol file: 702674-56-4.mol

Synonyms:BX-912;702674-56-4;BX912;N-[3-[[5-BROMO-4-[[2-(1H-IMIDAZOL-5-YL)ETHYL]AMINO]-2-PYRIMIDINYL]AMINO]PHENYL]-1-PYRROLIDINECARBOXAMIDE;BX 912;Y7RG737FY6;N-(3-((4-((2-(1H-imidazol-4-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide;MFCD10565925;N-[3-[[4-[[2-(4-Imidazolyl)ethyl]amino]-5-bromo-2-pyrimidinyl]amino]phenyl]pyrrolidine-1-carboxamide;1-Pyrrolidinecarboxamide, N-(3-((5-bromo-4-((2-(1H-imidazol-4-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-;1-Pyrrolidinecarboxamide, N-(3-((5-bromo-4-((2-(1H-imidazol-5-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-;N-(3-((5-Bromo-4-((2-(1H-imidazol-5-yl)ethyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide;N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide;CID 11754511;UNII-Y7RG737FY6;MLS006011015;GTPL8007;SCHEMBL3869633;CHEMBL3916849;SCHEMBL15825412;BDBM17052;CHEBI:91357;DTXSID30471901;EX-A945;BCPP000309;HMS3244G17;HMS3244G18;HMS3244H17;HMS3265I23;HMS3265I24;HMS3265J23;HMS3265J24;HMS3654D11;HMS3743G13;BCP01898;NSC758485;AKOS005266650;AKOS026750229;BCP9000468;CCG-269454;CS-0079;NSC-758485;SB19281;NCGC00346687-01;AC-32073;AS-16197;HY-11005;N-(3-((4-((2-(1H-imidazol-5-yl)ethyl)amino)-5-bromopyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide;N-(3-(4-(2-(1H-imidazol-4-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide;SMR004702813;SY280412;FT-0700351;S1275;SW220162-1;A866641;J-522977;BRD-K49669041-001-01-9;Q27075611;N-(3-(4-(2-(1H-imidazol-5-yl)ethylamino)-5-bromopyrimidin-2-ylamino)phenyl)pyrrolidine-1-carboxamide;N-[3-[[5-bromo-4-[2-(3H-imidazol-4-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide;N-{3-[(5-bromo-4-{[2-(1H-imidazol-4-yl)ethyl]amino}pyrimidin-2-yl)amino]phenyl}pyrrolidine-1-carboxamide;Pyrrolidine-1-carboxylic acid (3-{5-bromo-4-[2-(1H-imidazol-4-yl)-ethylamino]-pyrimidin-2-ylamino}-phenyl)-amide

Chemical Property of N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-YL)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide

Chemical Property:

• PSA: 110.86000
• Density: 1.596 g/cm³
• LogP: 4.14500
• Storage Temp.: -20°C
• Solubility.: ≥23.55 mg/mL in DMSO; insoluble in H2O; ≥10.25 mg/mL in EtOH
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 470.11782
• Heavy Atom Count: 30
• Complexity: 549

Purity/Quality:

98%,99%, ^*data from raw suppliers

BX-912 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCC4=CN=CN4)Br
• Description: 3-Phosphoinositide-dependent protein kinase 1 (PDK1) is a serine-threonine kinase that phosphorylates and activates a range of other kinases, including protein kinase (PK)B, PKA, and certain isoforms of PKC. BX-912 is a potent, ATP-competitive inhibitor of PDK1 (IC50 = 26 nM). It less effectively inhibits a panel of related serine-threonine kinases. BX-912 has been used to evaluate the role of PDK1 in kinase activation and cell survival.
• Uses: A selective potent PDK-1 inhibitor with an IC50 of 12 nM. BX-912 is a selective potent 3-Phosphoinositide-dependent Kinase-1 (PDK1) inhibitor. BX-192 shows potential anticancer properties as it inibits PDK1 activity towards the signaling pathway in cancer cell growth, survival and tumor angiogenesis.

Technology Process of N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-YL)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide

There total 1 articles about N-[3-[[5-Bromo-4-[[2-(1H-imidazol-5-YL)ethyl]amino]-2-pyrimidinyl]amino]phenyl]-1-pyrrolidinecarboxamide 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:

→ BX-912 (702674-56-4)

Guidance literature:

Refernces