Elenestinib (BLU-263) is a potent orally bioactive tyrosine kinase inhibitor. Elenestinib may be used for studying systemic mastocytosis (SM). Elenestinib inhibits KIT D816V with IC50 of 0.2 nM.

Physicochemical Properties

Molecular Formula	C27H29FN10O
Molecular Weight	528.583966970444
Exact Mass	528.25
CAS #	2505078-08-8
Related CAS #	Elenestinib phosphate;2832013-93-9
PubChem CID	155190269
Appearance	White to off-white solid powder
LogP	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	39
Complexity	789
Defined Atom Stereocenter Count	1
SMILES	FC1C=CC(=CC=1)[C@@](C)(C1C=NC(=NC=1)N1CCN(C2C3=CC(C4C=NN(CCO)C=4)=CN3N=CN=2)CC1)N
InChi Key	IPMARPMXSFFZFG-MHZLTWQESA-N
InChi Code	InChI=1S/C27H29FN10O/c1-27(29,21-2-4-23(28)5-3-21)22-14-30-26(31-15-22)36-8-6-35(7-9-36)25-24-12-19(17-38(24)34-18-32-25)20-13-33-37(16-20)10-11-39/h2-5,12-18,39H,6-11,29H2,1H3/t27-/m0/s1
Chemical Name	2-[4-[4-[4-[5-[(1S)-1-amino-1-(4-fluorophenyl)ethyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]ethanol
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IC50: 0.2 nM (KIT D816V)[2]
References	[1]. Safety and pharmacokinetics of BLU-263, a next-generation KIT inhibitor, in healthy volunteers[C]//Cancer Res (AACR Annual Meeting Abstracts). 2021, 122. [2]. A Phase 2/3 Study of BLU-263 in Patients with Indolent Systemic Mastocytosis or Monoclonal Mast Cell Activation Syndrome. Allergy and Clinical Immunology. 2022, 149 (2).
Additional Infomation	Elenestinib is a selective KIT inhibitor. Elenestinib is an orally bioavailable protein tyrosine kinase inhibitor of the mutated form of the tumor-associated antigen (TAA) mast/stem cell factor receptor c-Kit (SCFR), D816V, with potential antineoplastic activity. Upon oral administration, elenestinib binds to and inhibits the specific c-Kit mutant D816V. This may result in an inhibition of cell proliferation in mast cells that overexpress this c-Kit mutation. D816V, a mutation in which the amino acid asparagine aspartic acid at position 816 in the mast/stem cell growth factor receptor Kit protein is replaced by valine, may drive mastocytosis and other mast cell disorders.

Solubility Data

Solubility (In Vitro)

DMSO: 125 mg/mL (236.48 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 6.25 mg/mL (11.82 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 62.5 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8919 mL	9.4593 mL	18.9186 mL
	5 mM	0.3784 mL	1.8919 mL	3.7837 mL
	10 mM	0.1892 mL	0.9459 mL	1.8919 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.