For research use only. Not for therapeutic Use.
MethylCBI-azaindole-benzamide-MOM-Boc-ethylenediamine-D（Cat No.:I045126）is a complex synthetic intermediate used in the development of DNA-alkylating agents, particularly within the realm of targeted cancer therapeutics. It incorporates a methylCBI (cyclopropabenzindole) moiety, known for sequence-selective DNA alkylation, linked to an azaindole-benzamide scaffold, enhancing binding affinity and specificity. The MOM (methoxymethyl) and Boc (tert-butoxycarbonyl) groups serve as protective groups during synthesis, while the ethylenediamine-D component provides a flexible linker or conjugation site for drug delivery systems. Supplied for advanced research in DNA-targeting anticancer drug design and synthetic medicinal chemistry.
| CAS Number | 2222445-87-4 |
| Synonyms | tert-butyl N-[2-[[(1S)-1-(chloromethyl)-3-[6-[[4-(methoxymethoxy)benzoyl]amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl]oxycarbonyl-[2-(2-hydroxyethoxy)ethyl]amino]ethyl]-N-methylcarbamate |
| Molecular Formula | C44H51ClN6O10 |
| Purity | ≥95% |
| IUPAC Name | tert-butyl N-[2-[[(1S)-1-(chloromethyl)-3-[6-[[4-(methoxymethoxy)benzoyl]amino]imidazo[1,2-a]pyridine-2-carbonyl]-9-methyl-1,2-dihydrobenzo[e]indol-5-yl]oxycarbonyl-[2-(2-hydroxyethoxy)ethyl]amino]ethyl]-N-methylcarbamate |
| InChI | InChI=1S/C44H51ClN6O10/c1-28-8-7-9-33-36(60-43(56)49(18-20-58-21-19-52)17-16-48(5)42(55)61-44(2,3)4)22-35-39(38(28)33)30(23-45)24-51(35)41(54)34-26-50-25-31(12-15-37(50)47-34)46-40(53)29-10-13-32(14-11-29)59-27-57-6/h7-15,22,25-26,30,52H,16-21,23-24,27H2,1-6H3,(H,46,53)/t30-/m1/s1 |
| InChIKey | VQQZUHVNVDPTLO-SSEXGKCCSA-N |
| SMILES | CC1=C2C(=CC=C1)C(=CC3=C2[C@@H](CN3C(=O)C4=CN5C=C(C=CC5=N4)NC(=O)C6=CC=C(C=C6)OCOC)CCl)OC(=O)N(CCN(C)C(=O)OC(C)(C)C)CCOCCO |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
