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Molecular Formula: C28H36ClN5O3S
Molecular Weight: 558.13514

Description:
An anaplastic lymphoma kinase (ALK)-positive inhibitor used for the treatment of non-small cell lung cancer (NSCLC). It less potently inhibits IGF-1R, InsR, and STK22D and IC50 value is 8, 7, and 23 nM. LDK378 is also minimally effective against a panel of other kinases. In Sep 2016, Interim adverse events and efficacy data from phase III ASCEND-4 trial in non small cell lung cancer released by Novartis. In Oct 2016, efficacy data from the phase III ASCEND-3 and ASCEND-5 trial in non small cell lung cancer was presented.

• Molecular Weight:558.14
• Purity:≥98%

Molecular Formula:
C28H36ClN5O3S
Canonical SMILES:
CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
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)
InChIKey:
VERWOWGGCGHDQE-UHFFFAOYSA-N
Solubility:
Soluble in DMSO.
Appearance:
Solid Powder
Application:
Antineoplastic Agents
Storage: Store at -20ºC
Synonyms:
5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine, LDK-378, LDK378; LDK 378; Zykadia; NVP-LDK378-NX