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CEP-751

CAT: 0013-GTR19242280-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242280-01Size:10 mg
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Description
CEP-751 (KT-6587) is a potent pan-Trk inhibitor that demonstrates antitumor activity in vitro against neuroblastoma and medulloblastoma cell lines by inducing growth inhibition and apoptosis. Its efficacy extends to in vivo models, including tumors derived from trkA-transfected NIH3T3 cells, supporting its research use in oncology and neurobiology.
CAS Number
156177-59-2
Smiles
C[C@]12N3C=4C5=C (C6=C (C4C=7C3=CC=CC7) CNC6=O) C=8C (N5[C@] (O1) (C[C@@]2 (CO) OC) [H]) =CC=CC8
Molecular Formula
C27H23N3O4
Molecular Weight
453.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cep-751

inhibits TRK receptor tyrosine kinase; structure given in first source

CAS Number156177-59-2
PubChem CID9890129
IUPAC Name(15S,16S,18R)-16-(hydroxymethyl)-16-methoxy-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
Molecular FormulaC27H23N3O4
Molecular Weight453.5
XLogP2.7
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity901
SMILES
C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)OC
InChI
InChI=1S/C27H23N3O4/c1-26-27(13-31,33-2)11-19(34-26)29-17-9-5-3-7-14(17)21-22-16(12-28-25(22)32)20-15-8-4-6-10-18(15)30(26)24(20)23(21)29/h3-10,19,31H,11-13H2,1-2H3,(H,28,32)/t19-,26+,27+/m1/s1
InChIKey
NMMGUHANGUWNBN-VHEIIQRDSA-N
Chemical Structure
2D Structure
2D structure of Cep-751
CAS: 156177-59-2
CID: 9890129
Formula: C27H23N3O4
MW: 453.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass453.16885622
Monoisotopic Mass453.16885622
Topological Polar Surface Area77.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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