Ensartinib hydrochloride, 2137030-98-7

Ensartinib hydrochloride, 2137030-98-7, Stock 885g, Assay 98.54%, White powder, Water 0.32%, Single Impurity 0.25%.

Ensartinib HCl

Ensartinib HCl is the salt form of Ensartinib, 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 HCl

CAS#: 2137030-98-7 (HCl)

Chemical Formula: C26H29Cl4FN6O3

Exact Mass:

Molecular Weight: 634.36

Elemental Analysis: C, 49.23; H, 4.61; Cl, 22.35; F, 2.99; N, 13.25; O, 7.57

Specification:

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

Synonym: Ensartinib HCl; Ensartinib hydrochloride; Ensartinib dihydrochloride

IUPAC/Chemical Name: -Pyridazinecarboxamide, 6-amino-5-((1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-(((3R,5S)-3,5-dimethyl-1-piperazinyl)carbonyl)phenyl)-, hydrochloride (1:2)

InChi Key: IERUINQRGJAECT-ISUJJMBGSA-N

InChi Code: InChI=1S/C26H27Cl2FN6O3.2ClH/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);2*1H/t13-,14+,15-;;/m1../s1

SMILES Code: C[C@H](C1=C(Cl)C=CC(F)=C1Cl)OC2=CC(C(NC3=CC=C(C(N4C[C@@H](C)N[C@@H](C)C4)=O)C=C3)=O)=NN=C2N.[H]Cl.[H]Cl

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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: