for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
O-Desmethyl Midostaurin (CGP62221; O-Desmethyl PKC412) is the active metabolite of Midostaurin via cytochrome P450 liver enzyme metabolism. O-Desmethyl Midostaurin can be used as an indicator for Midostaurin metabolism in vivo Midostaurin is a multi-targeted protein kinase inhibitor with IC 50 ranging from 22-500 nM.
Form:Solid
IC50& Target:IC50: active metabolite of Midostaurin
| Canonical Smiles | CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)O |
|---|---|
| IUPAC Name | N-[(2S,3R,4R,6R)-3-hydroxy-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 |
| InChIKey | PXOCRDZEEXVZQC-AFUPZKSLSA-N |
| INCHI | 1S/C34H28N4O4/c1-34-31(39)24(36(2)33(41)18-10-4-3-5-11-18)16-25(42-34)37-22-14-8-6-12-19(22)27-28-21(17-35-32(28)40)26-20-13-7-9-15-23(20)38(34)30(26)29(27)37/h3-15,24-25,31,39H,16-17H2,1-2H3,(H,35,40)/t24-,25-,31-,34+/m1/s1 |
| Isomeric SMILES | C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)O |
| Alternate CAS | 740816-86-8 |
| PubChem CID | 11261445 |
| MeSH Entry Terms | CGP 62221;CGP62221 |
| Molecular Weight | 556.61 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | Carbazoles |
| Intermediate Tree Nodes | Pyrrolocarbazoles |
| Direct Parent | Indolocarbazoles |
| Alternative Parents | Pyrrolo[2,3-a]carbazoles Pyrroloindoles Isoindolones Benzamides Indoles Benzoyl derivatives Oxanes Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolocarbazole - Pyrrolo[2,3-a]carbazole - Pyrroloindole - Isoindolone - Benzamide - Isoindole or derivatives - Benzoic acid or derivatives - Isoindoline - Indole - Benzoyl - Monocyclic benzene moiety - Benzenoid - Oxane - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole. |
| External Descriptors | Not available |
