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ChemicalBook >> CAS DataBase List >>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)-

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)-

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)- Structure
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)- structure
CAS No.
145325-57-1
Chemical 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)-
Synonyms
PBD dimer-2;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)-
CBNumber:
CB510507055
Molecular Formula:
C31H36N4O6
Molecular Weight:
560.64
MDL Number:
MOL File:
145325-57-1.mol
Last updated:2025-04-18 09:52:28
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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)- Properties

Boiling point 811.1±65.0 °C(Predicted)
Density 1.36±0.1 g/cm3(Predicted)
pka 4.12±0.20(Predicted)
form Solid
color White to off-white

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)- Chemical Properties,Uses,Production

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

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)- Preparation Products And Raw materials

Raw materials

Preparation Products

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)- Suppliers

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Henan Rane Chemical Co., Ltd. 		58
Shanghai Haoyuan Chemexpress Co., Ltd. 58
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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)- PBD dimer-2 145325-57-1