ガドジアミド
C16H26GdN5O8
基本情報
- CAS
131410-48-5- 標準SMILES
CN=C([O-])CN(CCN(CCN(CC(=O)O)CC([O-])=NC)CC(=O)[O-])CC(=O)O.[Gd+3]- InChIKey
HZHFFEYYPYZMNU-UHFFFAOYSA-K- 分子式
- C16H26GdN5O8
- 平均分子量
- 573.66 g/mol
- 単同位体質量
- 574.10225
概要
Gadodiamide is a linear, non-ionic gadolinium-based contrast agent (GBCA) that is used in magnetic resonance imaging (MRI) procedures to assist in the visualization of blood vessels. GBCAs constitute the largest group of MR agents, and they are thought to be safer than nonionic iodinated contrast agents. Approved by the FDA in 1993, gadodiamide is the first non-ionic GBCA to be used. However, since linear, non-ionic GBCA is less stable than macrocyclic or ionic GBCA, gadodiamide can potentially lead to more gadolinium retention in the brain and thus more likely to cause side effects.
名称と識別子
- 優先名称
- C16H26GdN5O8
- IUPAC
- 2-[bis[2-[carboxymethyl-(2-methylimino-2-oxidoethyl)amino]ethyl]amino]acetate;gadolinium(3+)
- 現地名
- ガドジアミド
- 英語名
- Gadodiamide
- 分子式
- C16H26GdN5O8
- 分子量
- 573.66
名称と別名
C16H26GdN5O8HZHFFEYYPYZMNU-UHFFFAOYSA-KMFCD090281092-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxo-ethyl]amino]ethyl]amino]acetate;gadolinium(3+)ガドジアミドOmniscanS-041GADODIAMIDEGd-DTPA-BMAGadodiamineGadodianideGadodiamide b
名称をさらに表示
Gadodiamide CRSGADODIAMIDE (500 MG)Gadodiamide (1287507)
データベース識別子
- CAS
131410-48-5- PubChem CID
- 101673418
- Nikkaji
- J615.848J
物性
構造計算による物性
- 極性表面積
- 195 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 13
- 回転可能結合数
- 15
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 561
物理化学的性質
- 融点
- 300 °C · >300°C (dec.)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 溶解性
- メタノール（微量、加温）、水（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- InChIKey
- HZHFFEYYPYZMNU-UHFFFAOYSA-K
- SMILES
- N(C1CN23CC(=O)[O-][Gd+3]45672([O-]C(=O)CN4(CCN5(CC(=O)[O-]6)CC(NC)=O7)CC3)O=1)C
- CAS データベース
- 131410 · 131410-48-5
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- wgk
- WGK 3
- 毒性
- LD50 i.v. in mice: 14 mmol/kg (Chang)
- hs_code
- 2846909000
- Hazard Classifications
- Eye Irrit. 2
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 131410-48-5(Hazardous Substances Data)
化学と産業
薬理情報
Protein BindingGadodiamide does not bind to human serum proteins in vitro.
Pharmacodynamics
In magnetic resonance imaging, visualization of normal and pathologic tissue depends in part on variations in the radiofrequency signal intensity. These variations occur due to: changes in proton density; alteration of the spin-lattice or longitudinal relaxation time (T1); and variation of the spin-spin or transverse relaxation time (T2). Gadodiamide is a paramagnetic agent with unpaired electron spins which generate a local magnetic field. As water protons move through this local magnetic field, the changes in the magnetic field experienced by the protons reorient them with the main magnetic field more quickly than in the absence of a paramagnetic agent. By increasing the relaxation rate, gadodiamide decreases both the T1 and T2 relaxation times in tissues where it is distributed. At clinical doses, the effect is primarily on the T1 relaxation time and produces an increase in signal intensity. Disruption of the blood-brain barrier or abnormal vascularity allows the accumulation of gadodiamide in lesions such as neoplasms, abscesses, and subacute infarcts. The pharmacokinetic parameters of gadodiamide in various lesions are not known.
Mechanism of Action
Gadodiamide paramagnetic molecule that develops a magnetic moment when placed in a magnetic field. The magnetic moment alters the relaxation rates of water protons in its vicinity in the body. Its use in magnetic resonance imaging (MRI) allows to selectively increase contrast in tissues where gadodiamide accumulates.
Biological Half-LifeThe mean distribution and elimination half-lives (reported as mean ± SD) were calculated to be of 3.7 ± 2.7 minutes and 77.8 ± 16 minutes, respectively.
Metabolism/MetabolitesThere is no detectable biotransformation or decomposition of gadodiamide.
Absorption, Distribution and Excretion
The pharmacokinetics of intravenously administered gadodiamide in normal subjects conforms to an open, two-compartment model.
Gadodiamide is eliminated primarily in the urine with 95.4 ± 5.5% (mean ± SD) of the administered dose eliminated by 24 hours.
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