CAS Number137076-54-1
Synonyms1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester; DOTA-tri-t-Bu-ester; DOTA-Tris(Tbu ester); DOTA-tris-tert-butyl ester; 2-(1,4,7,10-tetraaza-4,7,10-tris(((tert-butyl)-oxycarbonyl)methyl)cyclododecyl)acetic acid; TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD; DOTA-(t-butyl ester)3-CO2H; TPC-M011; DOTA-tri-tert-butyl-ester; (4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid; 2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID; [4,7,10-Tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid; 1,4,7-tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane; Tri-tert-buty
Molecular FormulaC28H52N4O8
Molecular Weight572.734
Purity98.00%
Density1.079
Boiling Point632.1±55.0 °C at 760 mmHg
Melting Point129-131 ºC
AppearanceWhite to light gray powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 137076-54-1 |
| Catalog No. | 2A-1171315 |
| Chinese Name | 三叔丁基1,4,7,10-四氮杂环十二烷-1,4,7,10-四乙酸 |
| Synonyms | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1,4,7-tris(1,1-dimethylethyl) ester; 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester; DOTA-tri-t-Bu-ester; DOTA-Tris(Tbu ester); DOTA-tris-tert-butyl ester; 2-(1,4,7,10-tetraaza-4,7,10-tris(((tert-butyl)-oxycarbonyl)methyl)cyclododecyl)acetic acid; TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD; DOTA-(t-butyl ester)3-CO2H; TPC-M011; DOTA-tri-tert-butyl-ester; (4,7,10-Tris{2-[(2-methyl-2-propanyl)oxy]-2-oxoethyl}-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid; 2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID; [4,7,10-Tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid; 1,4,7-tri-Boc-10-(carboxymethyl)-1,4,7,10-tetraazacyclododecane; Tri-tert-buty |
| Molecular Formula | C28H52N4O8 |
| Molecular Weight | 572.734 |
| Purity | 98.00 |
| Density | 1.079 |
| Boiling Point | 632.1±55.0 °C at 760 mmHg |
| Melting Point | 129-131 ºC |
| Appearance | White to light gray powder |
| Storage Condition | Room temperature, sealed, protected from light |
| Application | DOTA tri(tert-butyl ester) can be used to synthesize third-generation (G3) nanospherical magnetic resonance imaging (MRI) contrast agents for MR angiography and tumor angiogenesis imaging [1]. |
| PubChem ID | 16709329 |
| SMILES | CC(C)(C)OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1 |
| InChI | InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34) |
| InChI Key | RVUXZXMKYMSWOM-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| Bioactivity | DOTA-tri(t-butyl ester) can be used in the synthesis of generations 3 (G3) nanoglobular magnetic resonance imaging (MRI) contrast agents for MR angiography and tumor angiogenesis imaging[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Kaneshiro TL, et, al. Synthesis and evaluation of globular Gd-DOTA-monoamide conjugates with precisely controlled nanosizes for magnetic resonance angiography. Biomacromolecules. 2008 Oct;9(10):2742-8. Chemical & Physical Properties Density 1.079 Boiling Point 632.1±55.0 °C at 760 mmHg Melting Point 129-131 ºC Molecular Formula C28H52N4O8 Molecular Weight 572.734 Flash Point 336.1±31.5 °C Exact Mass 572.378540 PSA 129.16000 LogP 3.76 Vapour Pressure 0.0±4.0 mmHg at 25°C Index of Refraction 1.480 InChIKey RVUXZXMKYMSWOM-UHFFFAOYSA-N SMILES CC(C)(C)OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1 |
| Use of | DOTA-tri(t-butyl ester) can be used in the synthesis of generations 3 (G3) nanoglobular magnetic resonance imaging (MRI) contrast agents for MR angiography and tumor angiogenesis imaging[1]. Properties Name 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Synonym More Synonyms Biological Activity Description DOTA-tri(t-butyl ester) can be used in the synthesis of generations 3 (G3) nanoglobular magnetic resonance imaging (MRI) contrast agents for MR angiography and tumor angiogenesis imaging[1]. Related Catalog Research Areas >> Others Signaling Pathways >> Others >> Others References [1]. Kaneshiro TL, et, al. Synthesis and evaluation of globular Gd-DOTA-monoamide conjugates with precisely controlled nanosizes for magnetic resonance angiography. Biomacromolecules. 2008 Oct;9(10):2742-8. Chemical & Physical Properties Molecular Formula C28H52N4O8 Exact Mass 572.378540 PSA 129.16000 Index of Refraction 1.480 InChIKey RVUXZXMKYMSWOM-UHFFFAOYSA-N |
| Transport Info | Product name: Purity: 97.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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