LDK378二盐酸盐

Description

LDK378 dihydrochloride · CAS 1380575-43-8 · C28H36ClN5O3S. UNII K418KG2GET.

Identification

CAS Registry Number	1380575-43-8
PubChem CID	57379345
Molecular formula	C28H36ClN5O3S
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
UNII (FDA)	K418KG2GET

Computed Descriptors

Molecular Weight	558.1
XLogP3	6.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	557.2227389
Monoisotopic Mass	557.2227389
Topological Polar Surface Area	114
Heavy Atom Count	38
Formal Charge	0

Physical description & handling notes

• 9.7 and 4.1

GHS Hazard Classification

Reported hazard statements	H302 (33.3%), H360 (16.7%), H372 (66.7%), H400 (16.7%), H410 (66.7%)

Documented Uses

• Ceritinib is a small molecule tyrosine kinase receptor inhibitor and antineoplastic agent that is used in the therapy of selected forms of advanced non-small cell lung cancer (NSCLC). Ceritinib is associated with a moderate rate of serum aminotransferase elevations during therapy and rare instances of clinically apparent acute liver injury.
• Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Enzyme Inhibitors; Protein Kinase Inhibitors; Signal Transduction Inhibitors; Tyrosine Kinase Inhibitors
• Ceritinib is approved to treat:
• • Non-small cell lung cancer that is ALK positive and has metastasized (spread to other parts of the body). It is used in adults.
• Ceritinib is also being studied in the treatment of other types of cancer.
• Avoid grapefruit products. Grapefruit inhibits the CYP3A metabolism of ceritinib, which may increase its serum concentration.

Synonyms

ceritinib; 1032900-25-6; LDK378; ZYKADIA; LDK-378; NVP-LDK378-NX; LDK 378; K418KG2GET; ceritinibum; NVP-LDK-378-NX; CHEBI:78432; DTXSID10725373; RefChem:57924; DTXCID50676118; L01XE28; 811-457-8

Frequently Asked Questions

What are the CAS number and molecular formula of LDK378 dihydrochloride?

CAS 1380575-43-8; molecular formula C28H36ClN5O3S; molecular weight — g/mol.

What other names is LDK378 dihydrochloride known by?

ceritinib, 1032900-25-6, LDK378, ZYKADIA, LDK-378, NVP-LDK378-NX.

Is LDK378 dihydrochloride classified as hazardous?

Hazard statements reported: H302, H360, H372, H400, H410.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.