Ensartinib, 1370651-20-9

Ensartinib, 1370651-20-9, Stock 871g, Assay 98.54%, White powder, Water 0.28%, Single Impurity 0.36%.

X-396

Ensartinib, also known as X-396, is an orally available small molecule inhibitor of the receptor tyrosine kinase anaplastic lymphoma kinase (ALK) with potential antineoplastic activity. Upon oral administration, X-396 binds to and inhibits ALK kinase, ALK fusion proteins and ALK point mutation variants. Inhibition of ALK leads to the disruption of ALK-mediated signaling and eventually inhibits tumor cell growth in ALK-expressing tumor cells. ALK belongs to the insulin receptor superfamily and plays an important role in nervous system development.

Product Details:

Name: Ensartinib free base

CAS#: 1370651-20-9 (free base),

Chemical Formula: C26H27Cl2FN6O3

Exact Mass: 560.1506

Molecular Weight: 561.4394

Elemental Analysis: C, 55.62; H, 4.85; Cl, 12.63; F, 3.38; N, 14.97; O, 8.55

Specification:

Related CAS #: 2137030-98-7 (HCl)   1370651-20-9 (free base)    

Synonym: X396; X-396; X 396; Ensartinib; X376 analog; X-376 analog; X 376 analog;

IUPAC/Chemical Name: 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-{4-[(3R,5S)-3,5-dimethylpiperazine-1-carbonyl]phenyl}pyridazine-3-carboxamide

InChi Key: GLYMPHUVMRFTFV-QLFBSQMISA-N

InChi Code: InChI=1S/C26H27Cl2FN6O3/c1-13-11-35(12-14(2)31-13)26(37)16-4-6-17(7-5-16)32-25(36)20-10-21(24(30)34-33-20)38-15(3)22-18(27)8-9-19(29)23(22)28/h4-10,13-15,31H,11-12H2,1-3H3,(H2,30,34)(H,32,36)/t13-,14+,15-/m1/s1

SMILES Code: O=C(C1=NN=C(N)C(O[C@@H](C2=C(Cl)C=CC(F)=C2Cl)C)=C1)NC3=CC=C(C(N4C[C@@H](C)N[C@@H](C)C4)=O)C=C3

Appearance: White powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Certification: