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Chemical structure of 3-Hydroxy Midostaurin

GC39689

3-Hydroxy Midostaurin

Also known as N-[(2S,3R,4R,6R)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide

3-Hydroxy Midostaurin (CGP 52421), a metabolite of PKC412, effectively inhibits FMS-like tyrosine kinase-3 (FLT3) autophosphorylation with IC50s of approximately 132 nM and 9·8 μM in culture medium and plasma, respectively· 3-Hydroxy Midostaurin is less selective but more cytotoxic than PKC412

ChemicalCAS179237-49-1MW586.64FormulaC35H30N4O5
CAS number
179237-49-1
Molecular weight
586.64
Formula
C35H30N4O5
Solubility
Soluble in DMSO
InChIKey
ZZSBPGIGIUFJRA-YMZPHHGTSA-N
Catalogue number
GC39689
Brand
GLPBIO
Computed properties PubChem CID 137552093 · XLogP 4.3 · TPSA 98 Ų · H-bond donors 2
XLogP
4.3
TPSA
98 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
44

SMILES C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)N(C)C(=O)C9=CC=CC=C9)OC

Computed descriptors from PubChem (CID 137552093), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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