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Belizatinib

CAT: 0804-HY-17603-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17603-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Belizatinib (TSR-011) is an orally active, potent inhibitor of ALK and TRKA, TRKB, and TRKC, with IC50 of 0.7 nM for wild-type recombinant ALK kinase.
CAS Number
1357920-84-3
Product Name Alternative
TSR-011
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Anaplastic lymphoma kinase (ALK) ; Trk Receptor
Type
Reference compound
Related Pathways
Neuronal Signaling; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Belizatinib.html
Concentration
10mM
Purity
99.62
Solubility
DMSO : ≥ 300 mg/mL
Smiles
O=C(NC1=NC2=CC=C(CN3CCC(C(C)(O)C)CC3)C=C2N1[C@H]4CC[C@@H](C(NC(C)C)=O)CC4)C5=CC=C(F)C=C5
Molecular Formula
C33H44FN5O3
Molecular Weight
577.73
Precautions
H302, H315, H319, H335
References & Citations
[1]Sullivan I, et al. ALK inhibitors in non-small cell lung cancer: the latest evidence and developments. Ther Adv Med Oncol. 2016 Jan;8 (1) :32-47.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
TrkA; TrkB; TrkC

Chemical Information

Tsr-011

See also: Belizatinib (annotation moved to).

CAS Number1357920-84-3
PubChem CID57345941
IUPAC Name4-fluoro-N-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide
Molecular FormulaC33H44FN5O3
Molecular Weight577.7
XLogP4.5
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity909
SMILES
CC(C)NC(=O)C1CCC(CC1)N2C3=C(C=CC(=C3)CN4CCC(CC4)C(C)(C)O)N=C2NC(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C33H44FN5O3/c1-21(2)35-30(40)24-8-12-27(13-9-24)39-29-19-22(20-38-17-15-25(16-18-38)33(3,4)42)5-14-28(29)36-32(39)37-31(41)23-6-10-26(34)11-7-23/h5-7,10-11,14,19,21,24-25,27,42H,8-9,12-13,15-18,20H2,1-4H3,(H,35,40)(H,36,37,41)
InChIKey
WSTUJEXAPHIEIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tsr-011
CAS: 1357920-84-3
CID: 57345941
Formula: C33H44FN5O3
MW: 577.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight577.7
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass577.34281844
Monoisotopic Mass577.34281844
Topological Polar Surface Area99.5 Ų
Heavy Atom Count42
Formal Charge0
Complexity909
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20919-100Belizatinib 100mg
A20919-1Belizatinib 1mg
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