2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester) - CAS 173308-19-5
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2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester) - CAS 173308-19-5 Catalog number: BADC-00989

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2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester) is a macrocyclic DOTA derivative for tumor pretargeting.

Category
ADCs Linker
Product Name
2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester)
CAS
173308-19-5
Catalog Number
BADC-00989
Molecular Formula
C30H58N6O7
Molecular Weight
614.82

Ordering Information

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BADC-00989 -- $--
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Description
2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester) is a macrocyclic DOTA derivative for tumor pretargeting.
Synonyms
DOTA Tris-(t-butyl ester) Ethylenediamino Monoamide; 10-[2-[(2-Aminoethyl)amino]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid Tris(1,1-dimethylethyl) Ester; 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2-[(2-aminoethyl)amino]-2-oxoethyl]-, 1,4,7-tris(1,1-dimethylethyl) ester; DO3AtBu-N-(2-aminoethyl)ethanamide; Tri-tert-butyl 2,2',2''-(10-(2-((2-aminoethyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate; 1-(2-Aminoethylcarbamoylmethyl)-1,4,7,10-tetraazacyclododecane-4,7,10-trisacetic acid tri-tert-butyl ester; 2-Aminoethyl-mono-amide-DOTA-tris(t-Butyl ester); DOTA-(COOt-Bu)3-C2-NH2
IUPAC Name
tert-butyl 2-[4-[2-(2-aminoethylamino)-2-oxoethyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
Canonical SMILES
CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)NCCN
InChI
InChI=1S/C30H58N6O7/c1-28(2,3)41-25(38)21-34-14-12-33(20-24(37)32-11-10-31)13-15-35(22-26(39)42-29(4,5)6)17-19-36(18-16-34)23-27(40)43-30(7,8)9/h10-23,31H2,1-9H3,(H,32,37)
InChIKey
TVUPYCMMXREXSS-UHFFFAOYSA-N
Density
1.062±0.06 g/cm3 (Predicted)
Solubility
10 mm in DMSO
Appearance
Solid
Purity
≥95%
Shelf Life
0-4℃ for short term (days to weeks), or -20℃ for long term (months).
Shipping
Room temperature, or blue ice upon request.
Storage
-20°C
Boiling Point
691.4±55.0°C (Predicted)
Form
Solid
The molarity calculator equation

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

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Historical Records: 2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester)
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