disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
• 化学式: C10H14N2Na2O8
• 分子量: 336.21
• InChiKey: ZGTMUACCHSMWAC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -16.24
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  169
• 氢给体数：
  2
• 氢受体数：
  8

ADMET

代谢

依地酸在体内几乎完全不代谢。

Edetate is almost completely unmetabolized _in vivo_.

来源:DrugBank

毒理性

• 相互作用

调查人员报告称，在雄性斯普拉格-道莱大鼠中，二钠EDTA（10毫克/毫升）增加了中性、碱性、和酸性化合物的肠道吸收。螯合剂增加了(14)C-甘露醇和(14)C-菊粉的吸收，从不到2%增加到7%-b 1%，增加了(14)C-N-甲基癸烷的吸收，从2%-3%增加到11%-15%，以及增加磺胺酸的吸收，从11%-14%增加到26%-32%。与对照相比，药物的血浆浓度增加了五到六倍。

/Investigators/ reported that Disodium EDTA (10 mg/mL) increased the intestinal absorption of neutral, basic, and acidic compounds in the male Sprague-Dawley rat. The chelating agent increased the absorption of (14)C-mannitol and (14)C-inulin from <2% to 7%-b 1%, the absorption of (14)C-N-methyldecamethonium from 2%-3% to 11%-15%, and the absorption of sulfanilic acid from 11%-14% to 26%-32%. Plasma concentrations of the drugs were increased as much as five- or sixfold, compared to controls.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

EDTA二钠在1%（w/v；24 mM）浓度下，当与1%（w/v）还原型谷胱甘肽一起给药时，能增加醋氮酰胺从雄性查尔斯河大鼠小肠的现场药物吸收。肠吸收增加了1.5到2倍；然而，EDTA和谷胱甘肽处理并未影响从胃部的吸收。研究者们提出，EDTA二钠通过螯合镁和钙离子，改变了肠上皮的水渗透性，从而分离上皮细胞。

Disodium EDTA at a concentration of 1% (w/v; 24 mM) increased the in situ drug absorption of acetazolamide from the small intestine of male Charles River rats when administered with 1% (w/v) reduced glutathione. Intestinal absorption was increased by 1.5 to 2 times; however, absorption from the stomach was not affected by treatment with EDTA and glutathione. The investigators suggested that Disodium EDTA altered the aqueous permeability of the intestinal epithelium by the chelation of magnesium and calcium ions, thereby separating the epithelial cells.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

肾脏毒性（例如，急性肾小管坏死、蛋白尿和血尿）可以通过充分的水化、建立充足的尿流量、避免过量用药以及将连续给药限制在5天或更少的天数来最小化。在严重中毒的治疗期间，以及在其他情况下的第二天和第五天，应每天进行肾功能实验室评估。

Nephrotoxicity (e.g., acute tubular necrosis, proteinuria, and hematuria) may be minimized by adequate hydration, establishment of adequate urine flow, avoidance of excessive doses, and limitation of continuous administration to 5 or fewer days. Laboratory assessment of renal function should be performed daily during treatment for severe intoxication and after the second and fifth days in other cases.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中毒物清除。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、袋阀面罩装置或口袋面罩，按训练操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗帮助。 /毒物A和B/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有需要，协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预期癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）持续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能够吞咽、有强烈的干呕反射且不流口水，则用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

• 消除途径

静脉给药后，24小时内95%的剂量在尿液中回收。在大鼠口服给药后，尿液中回收率为5.3%，粪便中回收率为88.5%。

After intravenous administration, 95% of the dose is recovered in the urine after 24 hours. Oral administration in rats leads to 5.3% recovery in urine and 88.5% recovery in feces.

来源:DrugBank

吸收、分配和排泄

• 分布容积

关于无水乙二胺四乙酸的分布容积的数据并不容易获得。

Data regarding the volume of distribution of edetate disodium anhydrous is not readily available.

来源:DrugBank

吸收、分配和排泄

• 清除

1个月大的婴儿的依地酸的平均清除率是54.6毫升/分钟/1.73平方米。2至17岁的儿童的平均清除率是113.9 ± 24.4毫升/分钟/1.73平方米。

The mean clearance of edetate in 1 month olds is 54.6mL/min/1.73m². 2-17 year olds have a mean clearance of 113.9 ± 24.4 mL/min/1.73m².

来源:DrugBank

吸收、分配和排泄

静脉给药后，形成的螯合物在尿液中排出，1小时内出现50%，24小时内超过95%。

After intravenous administration, the chelate formed is excreted in the urine with 50% appearing in 1 hour and over 95% in 24 hours.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

EDTA二钠盐...在胃肠道中吸收不良，并且作为药用制剂中的辅料使用时，与之相关的不良反应较少。

Disodium edentate ... /is/ poorly absorbed from the gastrointestinal tract and /is/ associated with few adverse effects when used as an excipient in pharmaceutical preparations.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate 生成 乙二胺四乙酸锌
  参考文献：
  名称：

  TODOROVA M.; MARKOV I.; STANKOVA A.; KARABELOVA M., J. PHOTOGR. SCI., 34,(1986) N 3, 91-94

  摘要：

  DOI：
• 作为产物：
  描述：

  乙二胺四乙酸 、 氯化钠 以 水 为溶剂， 反应 1.0h， 生成 disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
  参考文献：
  名称：

  Methods of Chemical Synthesis and Purification of Diaminophenothiazinium Compounds Including Methylthioninium Chloride (Mtc)

  摘要：

  本发明涉及化学合成和纯化领域，更具体地涉及合成和纯化某些3,7-二氨基苯并噻嗪-5-ium化合物（以下简称“二氨基苯并噻嗪化合物”），包括氯甲基亚甲蓝（MTC）（也称亚甲蓝）。在一种实施例中，该方法依次包括以下步骤：亚硝基化（NOS）；亚硝基还原（NR）；硫代磺酸形成（TSAF）；氧化偶联（OC）；Cr（VI）还原（CR）；离子对中间体的分离和纯化（IAPOZI）；环闭合（RC）；氯化物盐形成（CSF）；其中之一：硫化物处理（ST）；二甲基二硫代氨基甲酸盐处理（DT）；碳酸盐处理（CT）；乙二胺四乙酸处理（EDTAT）；有机提取（OE）；和再结晶（RX）。本发明还涉及所得到的（高纯度）化合物、包含它们的组合物（例如，片剂、胶囊）以及它们在灭活病原体、医疗治疗和诊断等方法中的使用，例如，用于tau病理、阿尔茨海默病（AD）、皮肤癌、黑色素瘤、病毒性疾病、细菌性疾病或原虫病。其中：R1和R9各自独立地选自：-H；C1-4烯基；和卤代C1-4烷基；R3NA和R3NB各自独立地选自：C1-4烷基；C2-4烯基；和卤代C4-1烷基；R7NA和R7NB各自独立地选自：C1-4烷基；C2-4烯基；和卤代C1-4烷基；X是一个或多个带负电的对离子，以达到电中性。

  公开号：

  US20080207603A1
• 作为试剂：
  描述：

  5-己炔酸 、 三乙胺 、 叔丁醇 、 二苯基膦叠氮化物 在 disodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxylatomethyl)amino]acetate 、 碳酸氢钠 、 Brine 、 magnesium sulfate 、 碳 、 hexane-diethyl ether 作用下， 以 乙醚 、 水 为溶剂， 反应 3.0h， 以to yield 3.8 grams (25%) N-boc-5-amino-1-pentyne的产率得到N-(4-戊炔基)氨基甲酸叔丁酯
  参考文献：
  名称：

  Benzazepine platelet aggregation inhibitors having specificity for the

  摘要：

  提供了一种苯并噻吩衍生物，它作为非肽血小板聚集抑制剂。该抑制剂强烈抑制纤维蛋白原与GPII.sub.b III.sub.a受体的结合，并作为治疗组合物用于治疗需要阻断血小板聚集的疾病。这些非肽抑制剂与溶栓剂和抗凝剂一起使用。

  公开号：

  US05403836A1

文献信息

• Additives and products including oligoesters
  申请人：——

  公开号：US20030199593A1

  公开（公告）日：2003-10-23

  The present invention relates to oligoesters and their use or the creation of additives. Oligoester containing additives and/or oligoesters themselves may be used for formulating pharmaceutical preparations, cosmetics or personal care products such as shampoos and conditioners. These oligoesters are particularly useful for the creation of multi-purpose additives that can impart conditioning, long substantivity and/or UV protection. Individual oligoesters and oligoester mixtures are described.

  本发明涉及寡酯及其用途或添加剂的制备。含有寡酯的添加剂和/或寡酯本身可用于配制药物制剂、化妆品或个人护理产品，如洗发水和护发素。这些寡酯对于制备能够赋予调理、长效性和/或紫外线保护的多功能添加剂特别有用。描述了单独的寡酯和寡酯混合物。
• [EN] S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES<br/>[FR] COMPOSÉS DE S-NITROSOMERCAPTO ET DÉRIVÉS APPARENTÉS
  申请人：GALLEON PHARMACEUTICALS INC

  公开号：WO2009151744A1

  公开（公告）日：2009-12-17

  The present invention is directed to mercapto-based and S- nitrosomercapto-based SNO compounds and their derivatives, and their use in treating a lack of normal breathing control, including the treatment of apnea and hypoventilation associated with sleep, obesity, certain medicines and other medical conditions.

  本发明涉及基于巯基和S-亚硝基巯基的SNO化合物及其衍生物，以及它们在治疗正常呼吸控制缺失方面的用途，包括治疗与睡眠、肥胖、某些药物和其他医疗状况相关的呼吸暂停和低通气。
• [EN] CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF<br/>[FR] MODULATEURS DE CALPAÏNE ET LEURS UTILISATIONS THÉRAPEUTIQUES
  申请人：BLADE THERAPEUTICS INC

  公开号：WO2019190885A1

  公开（公告）日：2019-10-03

  Small molecule calpain modulator compounds, including their pharmaceutically acceptable salts, can be included in pharmaceutical compositions. The compounds can be useful in inhibiting calpain, or competitive binding with calpastatin, by contacting them with CAPN1, CAPN2, and/or CAPN9 enzymes residing inside a subject. The compounds and composition can also be administered to a subject in order to treat a fibrotic disease or a secondary disease state or condition of a fibrotic disease.

  小分子钙蛋白酶调节剂化合物，包括其药用可接受的盐，可以包含在药物组合物中。这些化合物可以通过与主体内的CAPN1、CAPN2和/或CAPN9酶接触来抑制钙蛋白酶，或与钙蛋白酶抑制剂竞争性结合。这些化合物和组合物也可以被用于治疗纤维化疾病或纤维化疾病的继发疾病状态或病情。
• [EN] PYRIMIDINE JAK INHIBITORS FOR THE TREATMENT OF SKIN DISEASES<br/>[FR] INHIBITEURS DE JAK À BASE DE PYRIMIDINE POUR LE TRAITEMENT DE MALADIES DE LA PEAU
  申请人：THERAVANCE BIOPHARMA R&D IP LLC

  公开号：WO2020219640A1

  公开（公告）日：2020-10-29

  The invention provides compounds of formula (I): or pharmaceutically-acceptable salts thereof, that are inhibitors of Janus kinases. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using such compounds to treat inflammatory and autoimmune skin diseases.

  该发明提供了式(I)的化合物或其药用可接受盐，这些化合物是Janus激酶的抑制剂。该发明还提供了包含这些化合物的药物组合物，以及使用这些化合物治疗炎症性和自身免疫性皮肤疾病的方法。
• Imaging compounds, methods of making imaging compounds, methods of imaging, therapeutic compounds, methods of making therapeutic compounds, and methods of therapy
  申请人：Chen Xiaoyuan

  公开号：US20080267882A1

  公开（公告）日：2008-10-30

  Embodiments of the present disclosure provide for RGD compounds that include a multimeric RGD (arginine-glycine-aspartic acid (Arg-Gly-Asp)) peptide, methods of making the RGD compound, pharmaceutical compositions including RGD compound, methods of using the RGD compositions or the pharmaceutical compositions including RGD compositions, methods of diagnosing and/or targeting angiogenesis related disease and related biological events, kits for diagnosing and/or targeting angiogenesis related disease and related biological events, and the like. In addition, the present disclosure includes compositions used in and methods relating to non-invasive imaging (e.g., positron emission tomography (PET) imaging) of the RGD compounds in vivo.

  本公开的实施例提供了包括多聚体RGD（精氨酸-甘氨酸-天冬氨酸（Arg-Gly-Asp））肽的RGD化合物，制备RGD化合物的方法，包括RGD化合物的药物组合物，使用RGD组合物或包括RGD组合物的药物组合物的方法，诊断和/或靶向血管生成相关疾病和相关生物事件的方法，用于诊断和/或靶向血管生成相关疾病和相关生物事件的试剂盒等。此外，本公开还包括用于体内非侵入性成像（例如正电子发射断层扫描（PET）成像）的RGD化合物的成分和方法。

表征谱图