| Identification | Back Directory | [Name]
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,5-pentanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-, (11aS,11'aS)- | [CAS]
145325-57-1 | [Synonyms]
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 8,8'-[1,5-pentanediylbis(oxy)]bis[1,2,3,11a-tetrahydro-7-methoxy-, (11aS,11'aS)- | [Molecular Formula]
C31H36N4O6 | [MOL File]
145325-57-1.mol | [Molecular Weight]
560.64 |
| Chemical Properties | Back Directory | [Boiling point ]
811.1±65.0 °C(Predicted) | [density ]
1.36±0.1 g/cm3(Predicted) | [form ]
Solid | [pka]
4.12±0.20(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
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]. | [References]
[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. DOI:10.1021/bi034313t
[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. DOI:10.1021/acs.jmedchem.0c00691
[3] Howard PW, et al. Pyrrolobenzodiazepines as key intermediates in the synthesis of dimeric cytotoxic pyrrolobenzodiazepines. WO2005085259 |
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