145325-57-1
Chemical Structure
PBD dimer-2
- CAS No.: 145325-57-1
- Formula:C31H36N4O6
- Molecular Weight:560.64
IUPAC Name: (11aS,11a'S)-8,8'-(pentane-1,5-diylbis(oxy))bis(7-methoxy-1,2,3,11a-tetrahydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one)
InChIKey: JMRUKTNVBSHJFI-SFTDATJTSA-N
SMILES: O=C1C2=CC(OC)=C(OCCCCCOC3=C(C=C4C(N=C[C@@]5([H])N(CCC5)C4=O)=C3)OC)C=C2N=C[C@@]6([H])N1CCC6
Biological Activity: 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].
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PBD dimer-2 | 98.01% | 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. | ||||||||||||||||||||
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- [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. [Content Brief]
- [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. [Content Brief]
Keywords