NOTA-Bis(t-butyl ester)
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NOTA-Bis(t-butyl ester)

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It is the PDC linker targeting moietie of peptide drug conjugates (PDCs).

Category
Peptide Synthesis Reagents
Catalog number
BAT-016489
CAS number
1161415-28-6
Molecular Formula
C20H37N3O6
Molecular Weight
415.52
NOTA-Bis(t-butyl ester)
IUPAC Name
2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid
Synonyms
1,4-Bis(1,1-dimethylethyl)hexahydro-1H-1,4,7-triazonine-1,4,7-triacetate; NOTA-bis(tBu)ester; NOTA-bis(t-Bu ester); 1H-1,4,7-Triazonine-1,4,7-triacetic acid, hexahydro-, 1,4-bis(1,1-dimethylethyl) ester; 1,4-Bis(1,1-dimethylethyl) hexahydro-1H-1,4,7-triazonine-1,4,7-triacetate; 2-(4,7-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7-triazonan-1-yl)acetic acid
Appearance
Light yellow to yellow gel to solid
Purity
≥95%
Density
1.095±0.06 g/cm3
Melting Point
>125°C (dec.)
Boiling Point
519.9±50.0 °C at 760 mmHg
Storage
Store at 2-8 °C
Solubility
Soluble in Chloroform (Slightly), DMSO (Slightly)
InChI
InChI=1S/C20H37N3O6/c1-19(2,3)28-17(26)14-22-9-7-21(13-16(24)25)8-10-23(12-11-22)15-18(27)29-20(4,5)6/h7-15H2,1-6H3,(H,24,25)
InChI Key
UACSRZWSADEYPK-UHFFFAOYSA-N
Canonical SMILES
CC(C)(C)OC(=O)CN1CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)O
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