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Elenestinib (phosphate)

CAT: 0804-HY-152839ASize: 1 EachDry Ice: NoHazardous: No
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Description
Elenestinib (BLU-263) phosphate is an orally active inhibitor of Tyrosine kinase with an IC50 of 0.2 nM for KIT D816V. Elenestinib phosphate minimally penetrates the blood-brain barrier. Elenestinib phosphate can be used in the study of systemic mastocytosis[1][2].
CAS Number
2832013-93-9
Product Name Alternative
BLU-263 (phosphate)
UNSPSC
12352005
Target
C-Kit
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/elenestinib-phosphate.html
Solubility
10 mM in DMSO
Smiles
OCCN1C=C(C=N1)C2=CN3N=CN=C(N4CCN(C5=NC=C([C@@](N)(C6=CC=C(C=C6)F)C)C=N5)CC4)C3=C2.OP(O)(O)=O
Molecular Formula
C27H32FN10O5P
Molecular Weight
626.58
References & Citations
[1]Chifotides HT, et al. SOHO State of the Art Update and Next Questions: Current and Emerging Therapies for Systemic Mastocytosis. Clin Lymphoma Myeloma Leuk. 2024 Jun 25:S2152-2650 (24) 00239-8.|[2]Dave N, et al. Safety and pharmacokinetics of BLU-263, a next-generation KIT inhibitor, in healthy volunteers[C]//Cancer Res (AACR Annual Meeting Abstracts) . 2021, 122.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Elenestinib phosphate
CAS Number2832013-93-9
PubChem CID166177195
IUPAC Name2-[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;phosphoric acid
Molecular FormulaC27H32FN10O5P
Molecular Weight626.6
Topological Polar Surface Area204
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count44
Formal Charge0
Complexity838
SMILES
C[C@](C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)CCO)N.OP(=O)(O)O
InChI
InChI=1S/C27H29FN10O.H3O4P/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;1-5(2,3)4/h2-5,12-18,39H,6-11,29H2,1H3;(H3,1,2,3,4)/t27-;/m0./s1
InChIKey
ATLFLCBPQHHCAP-YCBFMBTMSA-N
Chemical Structure
2D Structure
2D structure of Elenestinib phosphate
CAS: 2832013-93-9
CID: 166177195
Formula: C27H32FN10O5P
MW: 626.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight626.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass626.22787932
Monoisotopic Mass626.22787932
Topological Polar Surface Area204 Ų
Heavy Atom Count44
Formal Charge0
Complexity838
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
E1662-1gElenestinib phosphate
BA8868-1Elenestinib
19792-100Cellulose, phosphate (Selectacel® phosphate)
246975-01Tricresyl Phosphate (Tritolyl Phosphate)
MA-0105Phosphate
3121325Calcium hydrogen phosphate (Dicalcium phosphate)
3122045Dicalcium phosphate (Calcium hydrogen phosphate)
042570-01Tri-Calcium Phosphate (Calcium Phosphate Tribasic)
RG-E242603-01Dimethyl hydrogen phosphate and methyl dihydrogen phosphate
P7392-01Potassium Dihydrogen Phosphate; Potassium Phosphate Monoba

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