Ensartinib HCl | CAS# 2137030-98-7 (HCl) | ALK inhibitor

MedKoo Cat#: 414027 | Name: Ensartinib HCl

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

Ensartinib HCl

CAS#2137030-98-7 (HCl)

Theoretical Analysis

MedKoo Cat#: 414027

Name: Ensartinib HCl

CAS#: 2137030-98-7 (HCl)

Chemical Formula: C26H29Cl4FN6O3

Exact Mass: 0.0000

Molecular Weight: 634.36

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

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 350.00	2 Weeks
10mg	USD 550.00	2 Weeks

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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

Solid 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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 634.36 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Insights into ALK-driven cancers revealed through development of novel ALK tyrosine kinase inhibitors Christine M. Lovly, Johannes M. Heuckmann, Elisa de Stanchina, Heidi Chen, Roman K. Thomas, Chris Liang, William Pao Cancer Res. Author manuscript; available in PMC 2012 July 15.Published in final edited form as: Cancer Res. 2011 July 15; 71(14): 4920Â–4931. Published online 2011 May 25. doi: 10.1158/0008-5472.CAN-10-3879 PMCID: PMC3138877 2: ALK and NSCLC: Targeted therapy with ALK inhibitors Bengt Hallberg, Ruth H. Palmer F1000 Med Rep. 2011; 3: 21. Published online 2011 November 1. doi: 10.3410/M3-21 PMCID: PMC3206708 3: A Systemic Review of Resistance Mechanisms and Ongoing Clinical Trials in ALK-Rearranged Non-Small Cell Lung Cancer Khashayar Esfahani, Jason Scott Agulnik, Victor Cohen Front Oncol. 2014; 4: 174. Prepublished online 2014 June 6. Published online 2014 July 21. doi: 10.3389/fonc.2014.00174 PMCID: PMC4104550 4: ALK Inhibitors, a Pharmaceutical Perspective Elena Ardini, Arturo Galvani Front Oncol. 2012; 2: 17. Prepublished online 2011 December 13. Published online 2012 February 22. doi: 10.3389/fonc.2012.00017 PMCID: PMC3356102 5: Review of the current targeted therapies for non-small-cell lung cancer Kim-Son H Nguyen, Joel W Neal, Heather Wakelee World J Clin Oncol. 2014 October 10; 5(4): 576Â–587. Published online 2014 October 10. doi: 10.5306/wjco.v5.i4.576 PMCID: PMC4129523 6: Development of anaplastic lymphoma kinase (ALK) inhibitors and molecular diagnosis in ALK rearrangement-positive lung cancer Eiji Iwama, Isamu Okamoto, Taishi Harada, Koichi Takayama, Yoichi Nakanishi Onco Targets Ther. 2014; 7: 375Â–385. Published online 2014 March 5. doi: 10.2147/OTT.S38868 PMCID: PMC3949762 7: Aminopyridyl/Pyrazinyl Spiro[indoline-3,4′-piperidine]-2-ones As Highly Selective and Efficacious c-Met/ALK Inhibitors Jingrong Li, Nan Wu, Yuanxin Tian, Jiajie Zhang, Shuguang Wu ACS Med Chem Lett. 2013 August 8; 4(8): 806Â–810. Published online 2013 July 12. doi: 10.1021/ml400203d PMCID: PMC4027565 8: Molecular pathways and therapeutic targets in lung cancer Emma Shtivelman, Thomas Hensing, George R. Simon, Phillip A. Dennis, Gregory A. Otterson, Raphael Bueno, Ravi Salgia Oncotarget. 2014 March; 5(6): 1392Â–1433. Published online 2014 April 8. PMCID: PMC4039220 9: Targeting Genomic Alterations in Squamous Cell Lung Cancer Kalyan Mantripragada, Humera Khurshid Front Oncol. 2013; 3: 195. Prepublished online 2013 April 1. Published online 2013 August 5. doi: 10.3389/fonc.2013.00195 PMCID: PMC3733025 10: Molecularly targeted approaches herald a new era of non-small-cell lung cancer treatment Hiroyasu Kaneda, Takeshi Yoshida, Isamu Okamoto Cancer Manag Res. 2013; 5: 91Â–101. Published online 2013 June 7. doi: 10.2147/CMAR.S32973PMCID: PMC3682814 11: Crizotinib-Resistant Mutants of EML4-ALK Identified Through an Accelerated Mutagenesis Screen Sen Zhang, Frank Wang, Jeffrey Keats, Xiaotian Zhu, Yaoyu Ning, Scott D Wardwell, Lauren Moran, Qurish K Mohemmad, Rana Anjum, Yihan Wang, Narayana I Narasimhan, David Dalgarno, William C Shakespeare, Juan J Miret, Tim Clackson, Victor M RiveraChem Biol Drug Des. 2011 December; 78(6): 999Â–1005. doi: 10.1111/j.1747-0285.2011.01239.xPMCID: PMC3265718 12: New Strategies for Treatment of ALK Rearranged Non-Small Cell Lung Cancers Takaaki Sasaki, Pasi A. JÃ¤nne Clin Cancer Res. Author manuscript; available in PMC 2012 December 1.Published in final edited form as: Clin Cancer Res. 2011 December 1; 17(23): 7213Â–7218. Published online 2011 October 18. doi: 10.1158/1078-0432.CCR-11-1404 PMCID: PMC3477548