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Chemical structure of DIBAC-GGFG-NH2CH2-Dxd

GC68976

DIBAC-GGFG-NH2CH2-Dxd

Also known as 4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-4-oxobutanamide

DIBAC-GGFG-NH2CH2-Dxd (compound LP4) is a derivative of vinblastine and serves as a linking carrier for protein-active molecule conjugates

ChemicalCAS2758875-01-1MW1128.16FormulaC61H58FN9O12
CAS number
2758875-01-1
Molecular weight
1128.16
Formula
C61H58FN9O12
Solubility
DMSO ： 100 mg/mL (88·64 mM; Need ultrasonic)
InChIKey
HXQAFVZJVFQLRZ-WEARVGGQSA-N
Catalogue number
GC68976
Brand
GLPBIO
Computed properties PubChem CID 163632863 · XLogP 1.9 · TPSA 284 Ų · H-bond donors 7
XLogP
1.9
TPSA
284 Ų
H-bond donors
7
H-bond acceptors
14
Rotatable bonds
19
Heavy atoms
83

SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCC(=O)N8CC9=CC=CC=C9C#CC1=CC=CC=C18)O

Computed descriptors from PubChem (CID 163632863), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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