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Lestaurtinib (CEP701)

CAT: 0013-GTR19203652-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203652-02Size:5 mg
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Description
Lestaurtinib
CAS Number
111358-88-4
Product Name Alternative
KT5555; CEP-701
Field of Research
Neuroscience
Purity
>98%
Bioactivity
JAK2, FLT3, and TrkA tyrosine kinase inhibitor
Form
Powder
Solubility
Soluble in DMSO (up to 100 mg/ml) or in Ethanol (up to 20 mg/ml)
Smiles
C[C@]12N3C=4C=5N (C=6C (C5C7=C (C4C=8C3=CC=CC8) CNC7=O) =CC=CC6) [C@] (O1) (C[C@@]2 (CO) O) [H]
Molecular Formula
C26H21N3O4
Molecular Weight
439.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lestaurtinib

LSM-1231 is an indolocarbazole.

CAS Number111358-88-4
PubChem CID126565
IUPAC Name(15S,16S,18R)-16-hydroxy-16-(hydroxymethyl)-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 FormulaC26H21N3O4
Molecular Weight439.5
XLogP2.2
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count33
Formal Charge0
Complexity886
SMILES
C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CO)O
InChI
InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
InChIKey
UIARLYUEJFELEN-LROUJFHJSA-N
Chemical Structure
2D Structure
2D structure of Lestaurtinib
CAS: 111358-88-4
CID: 126565
Formula: C26H21N3O4
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass439.15320616
Monoisotopic Mass439.15320616
Topological Polar Surface Area88.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity886
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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