CAS 179237-49-1 MFCD79237491-CGP52421 -LabNovo

SMILES: CO[C@H]1C[C@@]2(C)O[C@@H](C[C@@H]1N(C)C(=O)c1ccccc1)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(O)NC4=O

Chemical Name	CGP52421
Formula	C36H32N4O5
Synonym	CGP52421; CGP-52421; CGP 52421.
IUPAC Name	N-((5S,7S,8S,10R)-15-hydroxy-8-methoxy-10-methyl-17-oxo-6,7,8,9,10,15,16,17-octahydro-5H-18-oxa-4b,10a,16-triaza-5,10-methanodibenzo[b,h]cyclodeca[jkl]cyclopenta[e]-as-indacen-7-yl)-N-methylbenzamide
InChIKey	WMQSFYBLPAXEDG-VPROBEFOSA-N
InChI	InChI=1S/C36H32N4O5/c1-36-18-25(44-3)24(38(2)35(43)19-11-5-4-6-12-19)17-26(45-36)39-22-15-9-7-13-20(22)27-29-30(34(42)37-33(29)41)28-21-14-8-10-16-23(21)40(36)32(28)31(27)39/h4-16,24-26,34,42H,17-18H2,1-3H3,(H,37,41)/t24-,25-,26-,34?,36+/m0/s1
Canonical SMILES	O=C(N([C@H]1C[C@@](O2)([H])N3C4=CC=CC=C4C5=C3C6=C(C7=CC=CC=C7N6[C@@]2(C)C[C@@H]1OC)C(C(O)N8)=C5C8=O)C)C9=CC=CC=C9

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CGP52421 is a FLT3 inhibitor, which is also an metabolite of midostaurin (PKC412).

Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

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