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(3aR) -Selitrectinib

CAT: 1410-M28716-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M28716-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(6RS) -LOXO-195 is a potent and selective Trk tyrosine kinase inhibitor.
CAS Number
1350884-56-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
380.427
Molecular Formula
C20H21FN6O
Notes
Research use only, not for human use.
Receptor
Apoptosis|MARK3|MARK4

Chemical Information

LOXO-195 R racemate
CAS Number1350884-56-8
PubChem CID54670443
IUPAC Name(6R)-9-fluoro-15-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
Molecular FormulaC20H21FN6O
Molecular Weight380.4
XLogP2
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity593
SMILES
CC1CCC2=C(C=C(C=N2)F)[C@H]3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1
InChI
InChI=1S/C20H21FN6O/c1-12-4-5-16-14(9-13(21)10-22-16)17-3-2-7-26(17)18-6-8-27-19(25-18)15(11-23-27)20(28)24-12/h6,8-12,17H,2-5,7H2,1H3,(H,24,28)/t12?,17-/m1/s1
InChIKey
OEBIHOVSAMBXIB-RGUGMKFQSA-N
Chemical Structure
2D Structure
2D structure of LOXO-195 R racemate
CAS: 1350884-56-8
CID: 54670443
Formula: C20H21FN6O
MW: 380.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass380.17608748
Monoisotopic Mass380.17608748
Topological Polar Surface Area75.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-101977B(3aR) -Selitrectinib
MBS5758331Selitrectinib
A19252-100Selitrectinib 100mg
HY-101977R-01Selitrectinib (Standard)
A19252-10Selitrectinib 10mg
A19252-1Selitrectinib 1mg
S8636-5mgSelitrectinib (LOXO-195)
A19252-50Selitrectinib 50mg
A19252-25Selitrectinib 25mg
A19252-5Selitrectinib 5mg

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