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Chemical structure of SG3199

GC62691

SG3199

Also known as (6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methyl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one

SG3199 is a cytotoxic DNA minor groove interstrand crosslinking pyrrolobenzodiazepine (PBD) dimer· SG3199 is the released warhead component of the ADC payload Tesirine (SG3249)

ChemicalCAS1595275-71-0MW584.66FormulaC33H36N4O6
CAS number
1595275-71-0
Molecular weight
584.66
Formula
C33H36N4O6
InChIKey
YMTZZJOPSATRTO-GOTSBHOMSA-N
Catalogue number
GC62691
Brand
GLPBIO
Computed properties PubChem CID 90132565 · XLogP 2.8 · TPSA 102 Ų · H-bond donors 0
XLogP
2.8
TPSA
102 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
43

SMILES CC1=CN2[C@@H](C1)C=NC3=CC(=C(C=C3C2=O)OC)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=CN6C5=O)C)OC

Computed descriptors from PubChem (CID 90132565), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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