| Description |
N-Desmethyl Imatinib-[d8] is a deuterated metabolite of gleevec, a tyrosine kinase inhibitor specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia (CML) and certain forms of acute lymphoblastic leukemia (ALL). |
| Synonyms |
N-Desmethyl Imatinib D8; N-Desmethyl Gleevec-d8 |
| IUPAC Name |
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methyl]benzamide |
| Related CAS |
404844-02-6 (unlabelled) |
| Isomeric SMILES |
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)([2H])[2H])[2H] |
| Canonical SMILES |
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5 |
| InChI |
InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)/i13D2,14D2,15D2,16D2 |
| InChI Key |
BQQYXPHRXIZMDM-DBVREXLBSA-N |
| Melting Point |
97-103°C |
| Purity |
≥96% by HPLC; ≥98% atom D |
| Solubility |
Soluble in Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly) |
| Appearance |
Yellow Solid |
| Storage |
Store at -20°C |
![N-Desmethyl Imatinib-[d8]](https://resource.bocsci.com/structure/1185103-28-9.gif)
