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Selpercatinib

CAT: 0931-T8222-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T8222-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2152628-33-4
Target
C-RET
Related Pathways
Tyrosine Kinase/Adaptors, Apoptosis
Purity
>99.99%
Bioactivity
Selpercatinib (LOXO-292) is a tyrosine kinase inhibitor with antineoplastic properties, displaying IC50 values of 14.0 nM for RET (WT), 24.1 nM for RET (V804M), and 530.7 nM for RET (G810R) .
Smiles
COc1ccc(CN2C3CC2CN(C3)c2ccc(cn2)-c2cc(OCC(C)(C)O)cn3ncc(C#N)c23)cn1
Molecular Formula
C29H31N7O3
Molecular Weight
525.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Selpercatinib

Selpercatinib is a kinase inhibitor with enhanced specificity for RET tyrosine kinase receptors (RTKs) over other RTK classes. Enhanced RET (Rearranged during transfection) oncogene expression is a hallmark of many cancers. Although multikinase inhibitors, including [cabozantinib], [ponatinib], [sorafenib], [sunitinib], and [vandetanib], have shown efficacy in RET-driven cancers, their lack of specificity is generally associated with substantial toxicity. Selpercatinib (LOXO-292) and pralsetinib (BLU-667) represent the first generation of specific RET RTK inhibitors for the treatment of RET-driven cancers. Although selpercatinib is currently still under investigation in clinical trial NCT04211337, it was granted accelerated FDA approval on May 8, 2020, for specific RET-driven cancer indications. It is currently marketed under the brand name RETEVMO™ by Loxo Oncology Inc. Selpercatinib is also approved by the European Commission.

CAS Number2152628-33-4
PubChem CID134436906
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
Molecular FormulaC29H31N7O3
Molecular Weight525.6
XLogP2.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity885
SMILES
CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O
InChI
InChI=1S/C29H31N7O3/c1-29(2,37)18-39-24-9-25(28-21(10-30)13-33-36(28)17-24)20-5-6-26(31-12-20)34-15-22-8-23(16-34)35(22)14-19-4-7-27(38-3)32-11-19/h4-7,9,11-13,17,22-23,37H,8,14-16,18H2,1-3H3
InChIKey
XIIOFHFUYBLOLW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Selpercatinib
CAS: 2152628-33-4
CID: 134436906
Formula: C29H31N7O3
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass525.24883788
Monoisotopic Mass525.24883788
Topological Polar Surface Area112 Ų
Heavy Atom Count39
Formal Charge0
Complexity885
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
bs-82858C-01Selpercatinib
HY-W759629Selpercatinib-d3
TRC-S395851-100MGSelpercatinib-D₃
HY-114370R-01Selpercatinib (Standard)
RM-S051201-01Selpercatinib Impurity 1
C13665-100mgSelpercatinib (LOXO-292)
CS-SN-00076Selpercatinib-13C-D3

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