Disodium;sulfite

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱金属含氧阴离子化合物
• 英文名称: Disodium;sulfite
• 化学式: Na2O3S
• 分子量: 126.05
• InChiKey: GEHJYWRUCIMESM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -7.0
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.4
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

通过摄入、吸入或注射进入哺乳动物的亚硫酸盐会被亚硫酸氧化酶代谢成硫酸盐。

Sulfites that enter mammals via ingestion, inhalation, or injection are metabolized by sulfite oxidase to sulfate.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 毒性总结

鉴定和使用：亚硫酸钠形成小的白色晶体或粉末。亚硫酸钠在化妆品配方中用作还原剂和抗氧化剂。其它用途包括造纸工业、水处理和膳食补充剂。它还用于兽医中的抗氧化剂和消毒剂。人体研究：临床口服和眼部暴露研究未报告不良反应。亚硫酸钠在临床测试中不刺激皮肤，也不会引起过敏。然而，在贴片测试中，皮肤病患者可能会产生阳性反应。大多数对焦亚硫酸钠呈阳性反应的患者对亚硫酸钠也呈阳性反应。大多数研究报告，哮喘患者中硫酸盐敏感性的患病率为3%至10%，这些患者在摄入这些添加剂时。然而，这些反应的严重程度各不相同，依赖激素的哮喘患者、有明显呼吸道高反应性的人和慢性哮喘儿童似乎风险更大。经常暴露于30至100 ppm的亚硫酸钠会导致慢性呼吸道刺激和炎症，以及嗅觉和味觉的改变并不少见。动物研究：豚鼠单次暴露于低浓度的亚硫酸钠细雾，产生了与剂量相关的肺容量参数变化。大鼠连续3天暴露于亚硫酸钠细雾，产生了轻度肺水肿和气管上皮的刺激。在大鼠中，大剂量的亚硫酸钠七水合物（高达3.3 g/kg）产生了胎儿毒性，但未表现出致畸性。亚硫酸钠在致突变性研究中呈阴性。

IDENTIFICATION AND USE: Sodium sulfite forms small white crystals or powder. Sodium sulfite used as reducing agent and antioxidant in cosmetic formulations. Other uses include paper industry, water treatment, and dietary supplements. It is also used as antioxidant and antiseptic in veterinary. HUMAN STUDIES: Clinical oral and ocular-exposure studies reported no adverse effects. Sodium sulfite was not irritating or sensitizing in clinical tests. It may however, produce positive reactions in dermatologic patients under patch test. The majority of patients with positive reactions to sodium metabisulfite are also positive to sodium sulfite. Most studies report a prevalence of sulfite sensitivity of 3 to 10% among asthmatic subjects who ingest these additives. However, the severity of these reactions varies, and steroid-dependent asthmatics, those with marked airway hyperresponsiveness, and children with chronic asthma, appear to be at greater risk. Chronic irritation and inflammation of the respiratory tract and alteration of the sense of smell and taste is not uncommon a result of frequent exposure to 30 to 100 ppm. ANIMAL STUDIES: A single exposure to low concentrations of a sodium sulfite fine aerosol produced dose-related changes in the lung capacity parameters of guinea pigs. A 3-day exposure of rats to a sodium sulfite fine aerosol produced mild pulmonary edema and irritation of the tracheal epithelium. In rats, sodium sulfite heptahydrate at large doses (up to 3.3 g/kg) produced fetal toxicity but not teratogenicity. Sodium sulfite was negative in mutagenicity studies.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

评估：对于二氧化硫、亚硫酸盐、亚硫酸氢盐和焦亚硫酸盐对人类致癌性的证据不足。对于二氧化硫在实验动物中的致癌性有有限证据。对于亚硫酸盐、亚硫酸氢盐和焦亚硫酸盐在实验动物中的致癌性证据不足。总体评估：二氧化硫、亚硫酸盐、亚硫酸氢盐和焦亚硫酸盐不能被归类为对人类具有致癌性（第3组）。

Evaluation: There is inadequate evidence for the carcinogenicity in humans of sulfur dioxide, sulfites, bisulfites and metabisulfites. There is limited evidence for the carcinogenicity in experimental animals of sulfur dioxide. There is inadequate evidence for the carcinogenicity in experimental animals of sulfites, bisulfites and metabisulfites. Overall evaluation: Sulfur dioxide, sulfites, bisulfites and metabisulfites are not classifiable as to their carcinogenicity to humans (Group 3).

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 暴露途径

该物质可以通过吸入和摄入被身体吸收。

The substance can be absorbed into the body by inhalation and by ingestion.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 吸入症状

咳嗽。喉咙痛。见长期或重复暴露的影响。

Cough. Sore throat. See Effects of long-term or repeated exposure.

来源:ILO-WHO International Chemical Safety Cards (ICSCs)

毒理性

• 副作用

哮喘 - 由吸入刺激性或过敏原物质引发的 可逆性支气管收缩（细支气管狭窄）。

Asthma - Reversible bronchoconstriction (narrowing of bronchioles) initiated by the inhalation of irritating or allergenic agents.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

吸收、分配和排泄

由于这些颗粒的高度带电性质，皮肤渗透性会很低，而且任何穿透皮肤的亚硫酸盐都会被酶硫酸氧化酶转化为硫酸盐。

Skin penetration would be low due to the highly charged nature of these particles and any sulfite that did penetrate would be converted to sulfate by the enzyme sulfate oxidase.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  Disodium;sulfite 生成 硫化碱
  参考文献：
  名称：

  MILLER, RALPH

  摘要：

  DOI：
• 作为产物：
  描述：

  disodium;carbonate 生成 Disodium;sulfite
  参考文献：
  名称：

  SOKOLOVA, G. M.;KOMAROV, V. I.;BEREZINA, M. I.;DOBIN, E. YA.;DMITRIEVA, S+, ISSLED. V OBL. TEXNOL. FOSFORSODERZH. PRODUKTOV I SULFIT. SOLEJ, L.,(1988+

  摘要：

  DOI：
• 作为试剂：
  描述：

  4-benzyloxy-1-tridecene 、 9-硼双环[3.3.1]壬烷 、 四氢呋喃 在 乙醇 、 sodium hydroxide 、 双氧水 、 aqueous solution 、 Disodium;sulfite 、 saturated aqueous solution 、 氯化钠 、 potassium carbonate 作用下， 反应 21.0h， 以yielded 7.7 g (80%) of 4-benzyloxytridecan-1-ol as an oil的产率得到4-benzyloxytridecan-1-ol
  参考文献：
  名称：

  Hydroxy-, alkoxy- and benzyloxy-substituted phospholipids

  摘要：

  本发明揭示了新型的含羟基，烷氧基和苄氧基取代的磷脂，其制备方法，以及利用这些化合物或组合物治疗疼痛，磷脂酶A.sub.2介导的炎症和类似情况的方法。

  公开号：

  US05030733A1

文献信息

• PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY
  申请人：Rewcastle Gordon William

  公开号：US20100249099A1

  公开（公告）日：2010-09-30

  Provided herein are pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides, e.g., compounds of Formulae IA, IB, and IC, and their pharmaceutical compositions, preparation, and use as agents or drugs for cancer therapy, either alone or in combination with radiation and/or other anticancer drugs.

  本文提供了嘧啶基和1,3,5-三嗪基苯并咪唑磺酰胺，例如公式IA、IB和IC的化合物及其制备方法、制药组合物，并用作单独或与放射线和/或其他抗癌药物联合治疗癌症的药物或药剂。
• INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK
  申请人：PFIZER INC.

  公开号：US20130267493A1

  公开（公告）日：2013-10-10

  The present invention relates to indole and indazole compounds of Formula (I) that activate 5′ adenosine monophosphate-activated protein kinase (AMPK). The invention also encompasses pharmaceutical compositions containing these compounds and methods for treating or preventing diseases, conditions, or disorders ameliorated by activation of AMPK.

  本发明涉及式（I）的吲哚和吲唑化合物，其激活5'-腺苷酸单磷酸激活蛋白激酶（AMPK）。该发明还包括含有这些化合物的药物组合物以及通过激活AMPK来治疗或预防由其改善的疾病，病况或障碍的方法。
• Process for a CETP Inhibitor
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20140303380A1

  公开（公告）日：2014-10-09

  An efficient process is disclosed for producing the compound of formula I, which is the CETP inhibitor anacetrapib, which raises HDL-cholesterol and reduces LDL-cholesterol in human patients and may be effective for treating or reducing the risk of developing atherosclerosis:

  本发明揭示了一种高效的制备公式I化合物的过程，该化合物是CETP抑制剂anacetrapib，可提高人类患者的高密度脂蛋白胆固醇并降低低密度脂蛋白胆固醇，可能有效地治疗或降低动脉粥样硬化的风险。
• SYNTHESIS OF INTERMEDIATES FOR PREPARING ANACETRAPIB AND DERIVATIVES THEREOF
  申请人：Humljan Jan

  公开号：US20140135368A1

  公开（公告）日：2014-05-15

  The present invention relates to the field of organic chemistry, more specifically to the synthesis of intermediate compounds which can be used in the synthesis of pharmaceutically active agents such as anacetrapib or derivatives thereof.

  本发明涉及有机化学领域，更具体地涉及合成中间化合物，这些化合物可用于合成药物活性剂，如阿那普利或其衍生物。
• PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF
  申请人：Shimma Nobuo

  公开号：US20100069629A1

  公开（公告）日：2010-03-18

  A drug is provided that is useful as a preventive or therapeutic for cancer as a result of having superior PI3K inhibitory effects as well as superior stability in the body and water-solubility. A compound, or pharmaceutically acceptable salt thereof, represented by formula (I): [wherein, X represents a single bond, etc.; Y represents a single bond, etc. (provided that X and Y are not simultaneously single bonds); Z represents a hydrogen atom, etc.; m represents an integer of 1 or 2; and R 1 represents a cyclic substituent].

  提供了一种药物，由于具有优越的PI3K抑制作用以及在体内具有优越的稳定性和水溶性，因此可用作预防或治疗癌症。化合物或其药学上可接受的盐的表示式（I）：[其中，X表示单键等；Y表示单键等（前提是X和Y不同时为单键）；Z表示氢原子等；m表示1或2的整数；R1表示环状取代基]。

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