145325-57-1

145325-57-1 structure
145325-57-1 structure
  • Name: PBD dimer-2
  • Chemical Name: 1,1'-<(pentane-1,5-diyl)dioxy>bis<(11aS)-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo<1,2-c><1,4>benzodiazepin-5-one>
  • CAS Number: 145325-57-1
  • Molecular Formula: C31H36N4O6
  • Molecular Weight: 560.64100
  • Catalog: Research Areas Cancer
  • Create Date: 2018-04-13 19:10:29
  • Modify Date: 2024-01-21 19:12:20
  • 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–drug conjugates (ADCs), and it can be used for the research of cancer[1][2].

Name 1,1'-<(pentane-1,5-diyl)dioxy>bis<(11aS)-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo<1,2-c><1,4>benzodiazepin-5-one>
Synonyms 1,1-[(pentane-1,5-diyl)dioxy]bis[(11aS)-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4] benzodiazepine-5-one]
1,1'-[(pentane-1,5-diyl)dioxy]bis[(11aS)-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one]
1,1'-[(pentane-1,5-diyl)dioxy]bis[(11aS)-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[1,2-c][1,4]benzodiazepin-5-one]
Description 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–drug conjugates (ADCs), and it can be used for the research of cancer[1][2].
Related Catalog
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.  

[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.  

Molecular Formula C31H36N4O6
Molecular Weight 560.64100
Exact Mass 560.26300
PSA 102.26000
LogP 3.71990