For research use only. Not for therapeutic Use.
PBD dimer-2 (compound 2c) is a C8-linked pyrrolobenzodiazepine dimer. PBD dimer-2 can span an extra base pair and cross-link the 5′-Pu-GA(T/A)TC-Py sequence. PBD dimer-2 can be used as a payload for antibody–agent conjugates (ADCs), and it can be used for the research of cancer[1][2].
| Catalog Number | I042479 |
| CAS Number | 145325-57-1 |
| Synonyms | (6aS)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one |
| Molecular Formula | C31H36N4O6 |
| Purity | ≥95% |
| InChI | InChI=1S/C31H36N4O6/c1-38-26-14-22-24(32-18-20-8-6-10-34(20)30(22)36)16-28(26)40-12-4-3-5-13-41-29-17-25-23(15-27(29)39-2)31(37)35-11-7-9-21(35)19-33-25/h14-21H,3-13H2,1-2H3/t20-,21-/m0/s1 |
| InChIKey | JMRUKTNVBSHJFI-SFTDATJTSA-N |
| SMILES | COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC |
| Reference | [1]. Smellie M, et al. Sequence-selective recognition of duplex DNA through covalent interstrand cross-linking: kinetic and molecular modeling studies with pyrrolobenzodiazepine dimers. Biochemistry. 2003 Jul 15;42(27):8232-9. [2]. Staben LR, et al. Systematic Variation of Pyrrolobenzodiazepine (PBD)-Dimer Payload Physicochemical Properties Impacts Efficacy and Tolerability of the Corresponding Antibody-Drug Conjugates. J Med Chem. 2020 Sep 10;63(17):9603-9622. |
