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Chemical structure of PBD-monoamide

GC73938

PBD-monoamide

Also known as (6aS)-3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-5,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

PBD-monoamide, a modified PBD (pyrrolobenzodiazepine) dimer, is an ADC Cytotoxin

ChemicalCAS2093165-00-3MW600.66FormulaC33H36N4O7
CAS number
2093165-00-3
Molecular weight
600.66
Formula
C33H36N4O7
Solubility
DMSO ： 35·71 mg/mL (59·45 mM; ultrasonic and warming and heat to 60°C)
InChIKey
VURHXTHIYXCIAA-LVXARBLLSA-N
Catalogue number
GC73938
Brand
GLPBIO
Computed properties PubChem CID 126757595 · XLogP 2.4 · TPSA 119 Ų · H-bond donors 1
XLogP
2.4
TPSA
119 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
44

SMILES COC1=C(C=C2C(=C1)C(=O)N3CC(=C)C[C@H]3C(=O)N2)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=C)CN6C5=O)OC

Computed descriptors from PubChem (CID 126757595), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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