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114873-37-9

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114873-37-9 Usage

Uses

DONA combines with lanthanides to from lanthanide-azacrown coordination complexes. Also it is reported that DONA can be used as potential contrast agents for magnetic resonance imaging (MRI). This compound can be used to target, treat and diagnose tumors.

Check Digit Verification of cas no

The CAS Registry Mumber 114873-37-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,8,7 and 3 respectively; the second part has 2 digits, 3 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 114873-37:
(8*1)+(7*1)+(6*4)+(5*8)+(4*7)+(3*3)+(2*3)+(1*7)=129
129 % 10 = 9
So 114873-37-9 is a valid CAS Registry Number.

114873-37-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid

1.2 Other means of identification

Product number -
Other names 1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:114873-37-9 SDS

114873-37-9Relevant articles and documents

Synthesis and X-ray structural characterisation of seven co-ordinate macrocyclic In3+ complexes with relevance to radiopharmaceutical applications

Riessen,Kaden,Ritter,Macke

, p. 460 - 462 (1989)

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Synthesis and relaxivity studies of a gadolinium(III) complex of ATP-conjugated DO3A as a contrast enhancing agent for MRI

Ratnakar, S. James,Alexander, Vedhamonickom

, p. 3918 - 3927 (2005)

A gadolinium(III) complex of adenosine 5′-triphosphate (ATP)-appended DO3A has been synthesized in order to attain higher relaxivity and to reduce the in vivo toxicity. DO3A (2) was synthesized as the exclusive product by a single step direct trialkylation of cyclen with chloroacetic acid in water (pH 10, -4°C). ATP was then covalently appended to the DO3A framework through a propyl linker. The 3-bromopropane spacer appended DO3A (3) was synthesized by the reaction of DO3A with 1,3-dibromopropane in water/DMF in the presence of triethylamine as proton scavenger. The ATP-appended DO3A (DOSA-Pr-ATP) was synthesized by the reaction of 3 with ATP in water at room temperature. [Gd(DOSA-Pr-ATP)(H2O)2] (4) was synthesized by the reaction of DOSA-Pr-ATP with gadolinium(III) perchlorate hydrate in water. The X- and Q-band EPR spectra of 4 contain a broad band with no hyperfine splitting at both room temperature and liquid nitrogen temperature. The g-values are 2.167 and 2.033 at X- and Q-band, respectively. The magnetic moment of 4 is 7.45 BM which is close to the value for free GdIII ion. The longitudinal relaxivity, r1p, of [Gd(DO3A-Pr-ATP)(H2O)2] is 6.51 mM-1s-1 (24 MHz and 35±0.1°C), which is higher than that of [Gd(DOTA)(H2O)]- (r1p = 3.50 mM-1s-1, 20 MHz, 39°C, pH 7.3) and [Gd(DO3A)-(H2O)2] (r1p = 4.8 mM -1s-1, 20 MHz, 40°C). The higher relaxivity of 4 than for other systems with q = 2 is due to the increase in the molecular dimension of the complex by the conjugation of ATP. The relaxivity of 4 at pH 8.4 (TRIS buffer) decreases to 5.64 mM-1s-1, probably due to a change in the hydration number by the replacement of the coordinated water molecules by TRIS. The r1p relaxivity of 4 in the presence of β-cyclodextrin is 8.97 mM-1s-1 due to the increase in the molecular weight and dimension of the inclusion complex formed by the noncovalent host-guest interaction of the ATP pendant arm with the hydrophobic cavity of β-cyclodextrin. The transverse relaxivity, r2p, of 4 is 7.48 mM-1s-1 (24 MHz and 35±0.1°C). The r2p/r1p ratio of 1.16 indicates that 4 is a T 1-weighted contrast agent. The ATP moiety remains as an extended pendant arm and does not bind with the metal ion, nor does it block the coordination sites for the inner-sphere water molecules. Wiley-VCH Verlag GmbH & Co. KGaA, 2005.

Synthesis, relaxivity, and in vitro fluorescence imaging studies of a novel d-f heterometallic trinuclear complex as a potential bimodal imaging probe for MRI and optical imaging

Nithyakumar,Alexander

, p. 17800 - 17809 (2015)

A new trinuclear heterometallic RuII-GdIII2 complex of 4-aminopyridine appended DO3A (DO3A = 1,4,7-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane) with 2,2′-bipyridine as ancillary ligands is synthesized and its relaxometry and in vitro fluorescence imaging studies are reported. The complex [Ru(bpy)2{Gd(DOTA-AMpy)(H2O)}2]Cl2 (7) exhibits a "per Gd" longitudinal relaxivity (r1p) of 5.80 and 14.30 mM-1 s-1 in aqueous solution and in the presence of HSA, respectively (20 MHz, pH = 7.4, PBS, 37 °C). The complex 7 exhibits an intense 1MLCT absorption band at 480 nm and luminesces at 595 nm with a luminescence quantum yield of 3.2%. The fluorescence microscopy imaging study of HeLa cells incubated with 7 and stained with ethidium bromide and acridine orange confirms that the cells are viable throughout the imaging experiments and its cytotoxicity against HeLa cells, studied by the MTT assay, demonstrates its use for bioimaging studies. HeLa cell lines treated with the complex 7 and stained with Hoechst-33342 showed marked morphological signs of apoptosis in a dose-dependent manner by inducing changes in cell cycle arrest at the G2/M phase. Furthermore, apoptosis of HeLa cells, studied by the DNA ladder assay, indicates apoptotic cell death lending support for the antitumor activity of 7. A molecular docking study reveals that the complex 7 intercalates into the major groove of the DNA stabilized by hydrogen bonding and it binds with HSA by electrostatic- and hydrogen bonding interactions. The relaxometry, luminescence and fluorescence imaging studies indicate that the RuII-GdIII2 complex 7 has a good cell membrane permeability and could be considered as a potential bimodal imaging probe.

Gadobutrol intermediate, preparation method thereof and application of gadobutrol intermediate in preparation of gadobutrol

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Paragraph 0034-0035; 0048-0051, (2022/01/12)

The invention discloses a gadobutrol intermediate, a preparation method thereof and application of the gadobutrol intermediate in preparation of gadobutrol. The gadobutrol intermediate is represented by a chemical formula 4 in the specification. The invention also discloses a method for preparing gadobutrol by using the gadobutrol intermediate. The method is reasonable in route design, low in raw material price, high in total yield, high in product purity, low in purification cost and good in economical efficiency, and can fully meet the requirements of industrial production of products.

A 1, 4, 7, 10 - tetraazacyclododecane - 1, 4, 7 - four three-acetic acid in preparation method (by machine translation)

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Paragraph 0057-0060; 0064-0065; 0070-0072, (2019/02/26)

A 1, 4, 7, 10 - tetraazacyclododecane - 1, 4, 7 - triacetic acid preparation method. The invention the technical problem to be solved is to provide a high-efficiency, low-cost method for preparing the gadolinium cloth is mellow impurity (DO3A) and [...] complex (DO3A - Gd) process, is used for the quality control of the gadolinium cloth is mellow. In order to [...] (M1) as the starting material, first with the chloroactic acid lithium reaction synthesis impurity DO3A crude, DO3A crude with gadolinium oxide into to get DO3A - Gd, recrystallization of crude product high purity DO3A - Gd. DO3A - Gd under acidic conditions to obtain high purity xie luo DO3A. The reaction process is simple, line clear, without column chromatography, the target compound has high purity and yield, greatly reduces the production of waste gas. (by machine translation)

Graphene Oxide Cellular Delivery of Hydrophilic Small Molecules

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Paragraph 0083; 0084, (2017/04/04)

Unmodified graphene oxide conjugated with hydrophilic small molecules for cellular delivery.

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