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Chemical structure of DABCYL-TNF-α-EDANS (-4 to +6) (human)

GA21358

DABCYL-TNF-α-EDANS (-4 to +6) (human)

Also known as 5-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[5-amino-2-[2-[[2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-5-oxopentanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]ethylamino]naphthalene-1-sulfonic acid

The FRET substrate DABCYL-LAQAVRSSSR-EDANS represents the optimal size for efficient fluorescent quenching, while incorporating all of the necessary amino acids to yield a viable substrate to be used for rapid screening of compounds for inhibition of TNF-α converting enzyme (TACE, ADAM17 endopeptidase) activity

ChemicalCAS396716-14-6MW1573.8FormulaC70H104N22O18S
CAS number
396716-14-6
Molecular weight
1573.8
Formula
C70H104N22O18S
Solubility
Soluble in DMSO
InChIKey
NLLNLPZJUJVHNC-UHFFFAOYSA-N
Catalogue number
GA21358
Brand
GLPBIO
Computed properties PubChem CID 165365314 · XLogP -2.2 · TPSA 655 Ų · H-bond donors 21
XLogP
-2.2
TPSA
655 Ų
H-bond donors
21
H-bond acceptors
24
Rotatable bonds
46
Heavy atoms
111

SMILES CC(C)CC(C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NCCNC1=CC=CC2=C1C=CC=C2S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)N(C)C

Computed descriptors from PubChem (CID 165365314), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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