Products for Research Use Only
RegisterLogin

Eratrectinib

CAT: 0931-T211748-01Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T211748-01Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2396516-98-4
Target
Trk receptor
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
Eratrectinib (Example 1) is a Trk inhibitor, useful for researching tropomyosin receptor kinase-related diseases and cancer.
Smiles
FC=1C=C2[C@@]3(N(C4=NC5=C(C=NN5C=C4)C(=O)NN(CCC2=NC1)C6CC6)CCC3)[H]
Molecular Formula
C21H22FN7O
Molecular Weight
407.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Eratrectinib

Eratrectinib is an orally bioavailable, second-generation tropomyosin-related-kinase (TRK) inhibitor, with potential antineoplastic activity. Upon oral administration, eratrectinib specifically targets and binds to TRK, TRK mutations and fusion proteins containing sequences from neurotrophic tyrosine receptor kinase (NTRK) types 1 (NTRK1; TrkA), 2 (NTRK2; TrkB), and 3 (NTRK3; TrkC). This inhibits neurotrophin-TRK interaction and TRK activation, thereby preventing the activation of downstream signaling pathways, including the PI3K, RAS/MAPK/ERK and PLC-gamma pathways that are activated by these kinases. This results in both the induction of cellular apoptosis and the inhibition of cell growth in tumors that overexpress TRK and/or express NTRK fusion proteins. TRK, a family of receptor tyrosine kinases (RTKs) activated by neurotrophins, is encoded by NTRK family genes. The expression of either mutated forms of, or fusion proteins involving NTRK family members results in uncontrolled TRK signaling, which plays an important role in tumor cell growth, survival, invasion and treatment resistance.

CAS Number2396516-98-4
PubChem CID146271223
IUPAC Name(6R)-15-cyclopropyl-9-fluoro-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
Molecular FormulaC21H22FN7O
Molecular Weight407.4
XLogP2
Topological Polar Surface Area78.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count30
Formal Charge0
Complexity756
SMILES
C1C[C@@H]2C3=C(CCN(NC(=O)C4=C5N=C(N2C1)C=CN5N=C4)C6CC6)N=CC(=C3)F
InChI
InChI=1S/C21H22FN7O/c22-13-10-15-17(23-11-13)5-8-28(14-3-4-14)26-21(30)16-12-24-29-9-6-19(25-20(16)29)27-7-1-2-18(15)27/h6,9-12,14,18H,1-5,7-8H2,(H,26,30)/t18-/m1/s1
InChIKey
URXMBXJZRCIDQB-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of Eratrectinib
CAS: 2396516-98-4
CID: 146271223
Formula: C21H22FN7O
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass407.18698651
Monoisotopic Mass407.18698651
Topological Polar Surface Area78.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-177082Eratrectinib

Popular Products