Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate | CAS No. 819869-77-7

Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Basic Information

CAS Number

819869-77-7

Molecular Formula

C32H55N5O10

Molecular Weight

669.82 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)ON2C(=O)CCC2=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C32H55N5O10/c1-30(2,3)44-26(40)20-33-12-14-34(21-27(41)45-31(4,5)6)16-18-36(23-29(43)47-37-24(38)10-11-25(37)39)19-17-35(15-13-33)22-28(42)46-32(7,8)9/h10-23H2,1-9H3

InChIKey

XIICJKXKEDCZEE-UHFFFAOYSA-N

LogP

0.8403000000000089

Topological Polar Surface Area

155.54 Ų

Hydrogen Bond Donor/Acceptor

0 / 15

Complexity

1060

Synonyms & References

English

  • DOTA-tris-tBu-ester NHS
  • DOTA-mono-NHS-tris(t-Bu ester)(B-270)
  • DOTA-tris(tBu)ester NHS ester
  • DOTA tris(tBu)ester NHS ester
  • [4,7-Bis-tert-butoxycarbonylmethyl-10-(2,5-dioxopyrrolidin-1-yloxycarbonylmethyl)-1,4,7,10-tetraazacyclododec-1-yl]-acetic acid tert-butyl ester
  • [4,7-Bis-tert-butoxycarbonylmethyl-10-(2,5-dioxo-pyrrolidin-1-yloxycarbonylmethyl)-1,4,7,10-tetraaza-cyclododec-1-yl]-acetic acid tert-butyl ester
  • AKOS030528324
  • tert-butyl 2-[7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
  • AT26059
  • DA-63001
  • Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
  • Tri-tert-butyl 2,2 inverted exclamation mark ,2 inverted exclamation mark inverted exclamation mark -[10-[2-[(2,5-Dioxopyrrolidin-1-yl)oxy]-2-oxoethyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetate
  • Tri-tert-butyl2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
  • 819869-77-7
  • tert-butyl 2-{4,7-bis[2-(tert-butoxy)-2-oxoethyl]-10-{2-[(2,5-dioxopyrrolidin-1-yl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl}acetate
  • SY285850
  • A1-08303
  • DOTA-tris(t-Bu)ester-NHS
  • BS-51465
  • MFCD26131244
  • SCHEMBL3700587
  • HY-131326
  • CS-0133217

MDL Number

MFCD26131244

FAQ

What is Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7)?

Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7) is a complex organic compound belonging to the class of acetal derivatives. It consists of a central 1,4,7,10-tetraazacyclododecane core linked to three tert-butyl triacetate groups via 2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl linkers. This compound is known for its high stability and unique structural features.

What are the main uses of Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7)?

Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7) is primarily used in the pharmaceutical industry as a starting material for the synthesis of various bioactive compounds. It is also employed in research settings for studying metal-ligand interactions and in the development of novel drug candidates.

Is Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7) safe?

Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7) is generally considered safe when handled with appropriate precautions. However, it is recommended to avoid contact with skin and eyes, and proper ventilation should be maintained during use. Users should follow standard safety guidelines and wear appropriate personal protective equipment (PPE).

How should Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7) be stored?

Tri-tert-butyl 2,2',2''-(10-(2-((2,5-dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate (CAS: 819869-77-7) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed, air-tight container to prevent degradation. Proper labeling and storage in compliance with chemical storage regulations are essential to ensure safety and maintain the integrity of the compound.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...