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Chemical structure of diABZI-V/C-DBCO

GC75780

diABZI-V/C-DBCO

Also known as [4-[[(2S)-2-[[(2S)-2-[[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl]carbamate

diABZI-V/C-DBCO (Compound 3) is a potent STING agonist· diABZI-V/C-DBCO can release diABZI-amine upon activation by cathepsin B to activate STING, leading to the production of interferons and other immune-stimulatory molecules, thereby enhancing the immune system's response to tumors

ChemicalCAS3035557-60-6MW1500.66FormulaC78H89N19O13
CAS number
3035557-60-6
Molecular weight
1500.66
Formula
C78H89N19O13
Solubility
DMSO： 100 mg/mL (66·64 mM; Need ultrasonic)
InChIKey
YQIYAYDEUDNEHB-UGNZTZBXSA-N
Catalogue number
GC75780
Brand
GLPBIO
Computed properties PubChem CID 172872265 · XLogP 5.4 · TPSA 435 Ų · H-bond donors 10
XLogP
5.4
TPSA
435 Ų
H-bond donors
10
H-bond acceptors
17
Rotatable bonds
36
Heavy atoms
110

SMILES CCN1C(=CC(=N1)C)C(=O)NC2=NC3=C(N2C/C=C/CN4C5=C(C=C(C=C5OCCCNC(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCC(=O)N7CC8=CC=CC=C8C#CC9=CC=CC=C97)C(=O)N)N=C4NC(=O)C1=CC(=NN1CC)C)C(=CC(=C3)C(=O)N)OC

Computed descriptors from PubChem (CID 172872265), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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