sales@angenesci.com
Login | Register
logo
Structures Search
Home Sulfos 5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine

5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine

CAS No.:
1032900-25-6
Catalog Number:
AG003ABY
Molecular Formula:
C28H36ClN5O3S
Molecular Weight:
558.1351
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%(HPLC)
In Stock USA
United States
$112
- +
10mg
99%(HPLC)
In Stock USA
United States
$150
- +
50mg
99%(HPLC)
In Stock USA
United States
$205
- +
250mg
95%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG003ABY
Chemical Name:
5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
CAS Number:
1032900-25-6
Molecular Formula:
C28H36ClN5O3S
Molecular Weight:
558.1351
MDL Number:
MFCD26142648
IUPAC Name:
5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
InChI Key:
VERWOWGGCGHDQE-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C
UNII:
K418KG2GET
Properties
Complexity:
835  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
557.223g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
558.138g/mol
Monoisotopic Mass:
557.223g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4  
Literature
Title Journal
Cytotoxicity of 34 FDA approved small-molecule kinase inhibitors in primary rat and human hepatocytes. Toxicology letters 20180701
5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-(4-((4-methylpiperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)phenyl)pyrimidine-2,4-diamine (WY-135), a novel ALK inhibitor, induces cell cycle arrest and apoptosis through inhibiting ALK and its downstream pathways in Karpas299 and H2228 cells. Chemico-biological interactions 20180325
Resensitization to Crizotinib by the Lorlatinib ALK Resistance Mutation L1198F. The New England journal of medicine 20160107
Phase I Study of Ceritinib (LDK378) in Japanese Patients with Advanced, Anaplastic Lymphoma Kinase-Rearranged Non-Small-Cell Lung Cancer or Other Tumors. Journal of thoracic oncology : official publication of the International Association for the Study of Lung Cancer 20150701
The EML4-ALK oncogene: targeting an essential growth driver in human cancer. Proceedings of the Japan Academy. Series B, Physical and biological sciences 20150509
The ALK inhibitor ceritinib overcomes crizotinib resistance in non-small cell lung cancer. Cancer discovery 20140601
Ceritinib in ALK-rearranged non-small-cell lung cancer. The New England journal of medicine 20140327
Overcoming drug resistance in ALK-rearranged lung cancer. The New England journal of medicine 20140327
Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase 2 clinical trials. Journal of medicinal chemistry 20130725
Identification of NVP-TAE684, a potent, selective, and efficacious inhibitor of NPM-ALK. Proceedings of the National Academy of Sciences of the United States of America 20070102
Properties