2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester) - CAS 173308-19-5

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

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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°C for short term (days to weeks), or -20°C 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

2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester) serves as a versatile chelating agent with diverse scientific applications, notably in the realm of medical imaging and radiopharmaceuticals. Here are four key applications presented with high perplexity and burstiness:

Radiopharmaceutical Development: This compound plays a pivotal role in chelating radioactive isotopes essential for diagnostic imaging and radiotherapy. By binding with isotopes like ^68Ga or ^177Lu, it facilitates the creation of radiopharmaceuticals tailored to target specific tissues or tumors. These radiopharmaceuticals stand as indispensable tools in cancer diagnosis, treatment planning, and therapeutic efficacy monitoring.

MRI Contrast Agents: Leveraging 2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester), researchers can synthesize MRI contrast agents by chelating gadolinium ions. This process enhances the visibility of blood vessels, tissues, and organs during MRI scans, significantly enhancing the accuracy of diagnostic imaging and aiding in the early detection of diseases.

Peptide and Antibody Labeling: Frequently utilized for labeling peptides and antibodies with metal ions in various biomedical applications, this compound enables targeted delivery of diagnostic and therapeutic agents to specific biological targets. Such targeted delivery holds particular significance in the realm of personalized medicine for conditions like cancer and autoimmune disorders.

Biomedical Research: Widely incorporated in research studies focusing on metal ion chelation, 2-Aminoethyl-mono-amide-DOTA-tris(t-Bu ester) contributes to the development of new diagnostic tools and therapeutic strategies by facilitating precise metal delivery to biological molecules. Researchers harness this compound to explore novel avenues in molecular imaging, drug delivery, and nanomedicine, pushing the boundaries of biomedical research and innovation.

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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