5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine

Base Information

• Chemical Name: 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine
• CAS No.: 761439-42-3
• Molecular Formula: C₃₀H₄₀ClN₇O₃S
• Molecular Weight: 614.212
• UNII: EH1713MN4K
• ChEMBL ID: CHEMBL509032
• DSSTox Substance ID: DTXSID30227001
• NCI Thesaurus Code: C171615
• Nikkaji Number: J2.638.645D
• Pharos Ligand ID: GXB2DTLMCAC2
• Wikidata: Q27088117
• Mol file: 761439-42-3.mol

Synonyms:NVP-TAE684;TAE684

Chemical Property of 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine

Chemical Property:

• Vapor Pressure: 5.28E-25mmHg at 25°C
• Refractive Index: 1.622
• Boiling Point: 791°C at 760 mmHg
• PKA: 8.14±0.42(Predicted)
• Flash Point: 432.2°C
• PSA: 111.31000
• Density: 1.296 g/cm³
• LogP: 6.19170
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 613.2601870
• Heavy Atom Count: 42
• Complexity: 940

Purity/Quality:

99%, ^*data from raw suppliers

TAE684 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC
• Description: TAE684 (NVP-TAE684) is a potent and selective ALK inhibitor with IC50 of 3 nM in a cell-free assay, 100-fold more sensitive for ALK than InsR.
• Uses: TAE 684 is a potent, selective, and efficacious inhibitor of NPM-ALK, a fusion protein that is a key regulator of oncogenic events that drives the survival and proliferation of anaplastic large-cell l ymphomas. Human anaplastic lymphoma kinase (ALK) is an oncogene that is amplified in neuroblastomas and when juxtaposed with various fusion partners, its constitutive kinase activity is associated with the development of a type of anaplastic large cell lymphoma (ALCL). NVP-TAE684 is an ALK inhibitor that blocks the proliferation of ALCL-derived and ALK-dependent cell lines with IC50 values of 2-5 nM. When tested against a panel of 35 cells transformed by various tyrosine kinases, TAE684 demonstrated 100- to 1,000-fold selectivity for inhibiting ALK-driven cell proliferation. NVP-TAE684 treatment induces cell cycle arrest and apoptosis in ALK-dependent cell lines and has been used to suppress tumor growth in in vivo models of ALK-positive ALCL and neuroblastoma. NVP-TAE684 is also reported to inhibit the activity of the Parkinson’s disease-linked leucine-rich repeat kinase 2 (IC50s = 7.8 and 6.1 nM for wild-type and G2019S mutant LRRK2, respectively).[Cayman Chemical] TAE 684 is a potent, selective, and efficacious inhibitor of NPM-ALK, a fusion protein that is a key regulator of oncogenic events that drives the survival and proliferation of anaplastic large-cell lymphomas. Potent ALK inhibitor

Technology Process of 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine

There total 1 articles about 5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenyl)pyrimidine-2,4-diamine 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:

→ 5-chloro-N4-[2-(isopropylsulfonyl)phenyl]-N2-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}pyrimidine-2,4-diamine (761439-42-3)

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