1032900-25-6 | 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

Packsize	Purity	Availability	Price	Discounted Price
5mg	98%	in stock	$6.00	$4.00
25mg	98%	in stock	$8.00	$5.00
100mg	98%	in stock	$12.00	$8.00
1g	98%	in stock	$82.00	$58.00
5g	98%	in stock	$299.00	$209.00
25g	98%	in stock	$1,132.00	$793.00

Description

• Catalog Number: AB53158
• 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
• SMILES: CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C

Computed Properties

• Complexity: 835
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 38
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 3
• Rotatable Bond Count: 9
• XLogP3: 6.4

Literature

• 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