disodium;carbonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: disodium;carbonate
• 化学式: CNa2O3
• 分子量: 105.988
• InChiKey: CDBYLPFSWZWCQE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -8.44
• 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：
  63.2
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

未知

None.

来源:DrugBank

毒理性

• 毒性总结

识别和使用：碳酸钠是一种灰白色的粉末或块状物，含有高达99%的碳酸钠。碳酸钠用于生产玻璃、肥皂和洗涤剂以及其他化学品，还用于“金属和采矿”行业以及“造纸”行业。碳酸钠不仅被工业使用，也被消费者使用。它可以直接用于碳酸钠溶液中浸泡衣物、洗碗、洗地板和脱脂操作，但也存在于许多消费品中，如化妆品、肥皂、磨砂粉、浸泡和洗涤粉。碳酸钠也是一种食品添加剂。 人体研究：碳酸钠的水溶液呈强碱性，浓缩溶液可能导致粘膜的局部坏死。将50%重量/体积的碳酸钠水溶液应用于人体志愿者的完整和磨损皮肤上。在4、24和48小时后检查了这些部位，并对红斑、水肿和腐蚀进行了评分。该溶液没有产生红斑和水肿。人体皮肤在磨损部位表现出组织破坏。大量摄入可能导致胃肠道腐蚀、呕吐、腹泻、循环衰竭、死亡。碳酸钠的粉尘或蒸气可能会刺激粘膜，随后出现咳嗽和呼吸急促。在浓度低于15%时，它是一种原发刺激物，在浓度超过大约15%时具有腐蚀性，具体取决于接触时间、暴露区域和其他因素。 动物研究：将50%重量/体积的碳酸钠水溶液应用于兔子和豚鼠的完整和磨损皮肤上。在4、24和48小时后检查了这些部位，并对红斑、水肿和腐蚀进行了评分。该溶液没有产生红斑和水肿。兔子的皮肤在磨损部位表现出组织破坏。在系统研究中，将干粉状碳酸钠作为与干硫酸钠混合物的25%至75%应用于兔子和猴子的眼睛，无论是否在应用后两分钟进行冲洗，都被判定为对两种物种“具有腐蚀性”或“有害”。然而，大多数猴子眼睛在暴露于50%混合物后21天表现出很少或没有持续伤害。在一项重复剂量吸入研究中，雄性大鼠每天暴露于2%碳酸钠水溶液气溶胶4小时/天，每周5天，持续3.5个月。肺部的抗坏血酸水平降低。对照组和实验动物的肺部都发现了偏差，但只有实验动物表现出支气管上皮细胞的增生和剥脱，以及血管周围水肿。其他肺部变化包括肺泡壁增厚、充血和淋巴浸润，但这些变化也在约50%的对照组中观察到。在母鼠怀孕的第6-15天，每天通过口腔插管给予碳酸钠水溶液，剂量范围从3.4到340 mg/kg bw。测试物质没有产生不良影响。大鼠和兔子每天剂量从2.45-245 mg/kg bw和1.79-179 mg/kg bw的类似阴性结果也被报道。细菌的体外致突变性试验为阴性。 生态毒性研究：在10 mg/L的碳酸钠浓度下，除了在第3天和第10天高于对照组外，在所有观察期间都降低了里海虾的耗氧量。在100 mg/L时，前5天的耗氧量较高，此后逐渐降低。碳酸钠自然存在，在环境和土壤中普遍存在，这表明释放低水平的碳酸钠不会对野生动物或水资源产生不利影响。

IDENTIFICATION AND USE: Sodium carbonate is a grayish-white powder of lumps containing up to 99% sodium carbonate. Sodium carbonate is used for the production of glass, soaps and detergents and other chemicals and it also used by the 'metals and mining' industry and the 'pulp and paper' industry. Sodium carbonate is not only used by industry but is also used by consumers. It may be used directly in solutions of sodium carbonate for soaking of clothes, dishwashing, floor washing and for degreasing operations but it is also present in a large number of consumer products like cosmetics, soaps, scouring powders, soaking and washing powders. Sodium carbonate is also a food additive. HUMAN STUDIES: Aqueous solutions are strongly alkaline, concentrated solutions tend to produce local necrosis of mucous membranes. An aqueous solution, 50% weight/volume, of sodium carbonate was applied to the intact and abraded skin of human volunteers. The sites were examined at 4, 24, and 48 hr and scored for erythema, edema, and corrosion. The solution produced no erythema and edema. The human skin showed tissue destruction at the abraded sites. Ingestion of large quantities may produce corrosion of GI tract, vomiting, diarrhea, circulatory collapse, death. Dusts of vapors of sodium carbonate may cause irritation of mucous membranes with subsequent coughing and shortness of breath. It is a primary irritant at concentrations below 15% and caustic at concentrations above approximately 15% depending on contact time, areas of exposure, and other factors. ANIMAL STUDIES: An aqueous solution, 50% weight/volume, of sodium carbonate was applied to the intact and abraded skins of rabbits, guinea pigs. The sites were examined at 4, 24, and 48 hr and scored for erythema, edema, and corrosion. The solution produced no erythema and edema. The rabbit skin showed tissue destruction at the abraded sites. Dry, powdered sodium carbonate, as 25% to 75% of a mixture with dry sodium sulfate, applied to eyes of rabbits and monkeys in a systematic study was judged "corrosive" or "harmful" to both species, whether or not followed by irrigation at two minutes after application. However, most monkey eyes exposed to 50% mixture showed little or no persistent injury 21 days after exposure. A repeated dose inhalation study was conducted in male rats exposed to a 2% aqueous sodium carbonate aerosol for 4 hr/day, 5 days/week for 3.5 months. Pulmonary ascorbic acid levels were decreased. Deviations in lungs were found in control and experimental animals but only experimental animals displayed hyperplasia and desquamination of bronchiolar epithelium, and perivascular edema. Other pulmonary changes included thickening of alveolar walls, hyperemia and lymphoid infiltration but these changes were also observed in about 50% of the controls. Aqueous solutions of sodium carbonate were administered daily via oral intubation to pregnant mice at doses ranging from 3.4 to 340 mg/kg bw during days 6-15 of gestation. The test substance produced no unwanted effects. Similar negative results were reported for rats and rabbits for daily doses from 2.45-245 mg/kg bw and 1.79-179 mg/kg bw, respectively. An in vitro mutagenicity test with bacteria was negative. ECOTOXICITY STUDIES: Sodium carbonate at 10 mg/L, reduced oxygen consumption in Caspian Sea shrimp in all of the observation periods, except days 3 and 10, when it was higher than the control. At 100 mg/L, oxygen consumption was higher during 1st 5 days and thereafter reduced gradually. Sodium carbonate is naturally occurring and commonly found in soil and water in the environment suggesting that releasing low levels of sodium carbonate would not be expected to adversely effect wildlife or water resources.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 吸入症状

咳嗽。喉咙痛。

Cough. Sore throat.

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

毒理性

• 皮肤症状

Redness.

Redness.

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

毒理性

• 眼睛症状

红斑。疼痛。

Redness. Pain.

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

毒理性

• 摄入症状

喉咙和胸部有灼热感。腹痛。

Burning sensation in the throat and chest. Abdominal pain.

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

吸收、分配和排泄

• 吸收

碳酸钠通过碳酸钠的摄入量远远低于食物中的钠摄入量。因此，碳酸钠在体内不太可能被全身吸收。此外，口服碳酸钠会在胃中与胃酸中和。

The uptake of sodium, via exposure to sodium carbonate, is much less than the uptake of sodium via food. Therefore, sodium carbonate is not expected to be systemically available in the body. Furthermore, an oral uptake of sodium carbonate will result in a neutralization in the stomach due to the gastric acid.

来源:DrugBank

吸收、分配和排泄

• 消除途径

被肾脏过滤并重吸收；过滤的碳酸氢盐中少于1%被排出。

Filtered and reabsorbed by the kidney; less than 1% of filtered bicarbonate is excreted.

来源:DrugBank

吸收、分配和排泄

• 分布容积

分布是自然发生的，并且仅限于系统性循环。

Distribution occurs naturally and is confined to the systemic circulation.

来源:DrugBank

吸收、分配和排泄

脊椎动物血液和细胞间液中主要的细胞外缓冲系统是碳酸氢盐缓冲系统...。组织中的二氧化碳迅速扩散进入红细胞，在那里它与水反应形成碳酸。这个反应被碳酸酐酶加速，这种酶在红细胞中含量很高。形成的碳酸分解成碳酸氢盐和氢离子。大部分碳酸氢盐离子扩散到血浆中。由于在平衡时H2CO3与溶解的CO2的比例是恒定的，pH可以通过碳酸氢根离子浓度和CO2的分压，利用亨德森-哈塞尔巴赫方程来表示：pH = pk + log [HCO3-]/aPCO2。人类的血液血浆通常具有7.40的pH值。如果pH值降至7.0以下或升至7.8以上，可能会发生不可逆转的损害。酸碱平衡紊乱的补偿机制功能是改变HCO3-与PCO2的比例，使血液的pH恢复正常。...通过接触碳酸钠摄取的钠远少于通过食物摄取的钠。因此，碳酸钠在体内不太可能全身可用。此外...口服碳酸钠会在胃中与胃酸中和。

The major extracellular buffer in the blood and the interstitial fluid of vertebrates is the bicarbonate buffer system ... . Carbon dioxide from the tissues diffuses rapidly into red blood cells, where it is hydrated with water to form carbonic acid. This reaction is accelerated by carbonic anhydrase, an enzyme present in high concentrations in red blood cells. The carbonic acid formed dissociates into bicarbonate and hydrogen ions. Most of the bicarbonate ions diffuse into the plasma. Since the ratio of H2CO3 to dissolved CO2 is constant at equilibrium, pH may be expressed in terms of bicarbonate ion concentration and partial pressure of CO2 by means of the Henderson-Hasselbach equation: pH = pk + log [HCO3-]/aPCO2. The blood plasma of /humans/ normally has a pH of 7.40. Should the pH fall below 7.0 or rise above 7.8, irreversible damage may occur. Compensatory mechanisms for acid-base disturbances function to alter the ratio of HCO3 - to PCO2 , returning the pH of the blood to normal. ... The uptake of sodium, via exposure to sodium carbonate, is much less than the uptake of sodium via food. Therefore, sodium carbonate is not expected to be systemically available in the body. Furthermore ... an oral uptake of sodium carbonate will result in a neutralization in the stomach due to the gastric acid.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  disodium;carbonate 生成 Sodium sulfate-III
  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：
• 作为产物：
  描述：

  disodium;dioxido(dioxo)tungsten 生成 disodium;carbonate
  参考文献：
  名称：

  KAROV, Z. G.;AGNOKOV, T. SH.;XOCHUEV, I. YU.;KYAROV, A. A., TSV. MET.,(1989) N, S. 94-98

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-(1-benzyl-4-piperidinyl)-3-phenyl-2-imidazolidinone 、 水 、 盐酸 、 氢气 在 钯 水 、 disodium;carbonate 、 氯仿 、 Sodium sulfate-III 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以to yield 7.6 g of 1-(4-piperidinyl)-3-phenyl-2-imidazolidinone as a colourless oil which的产率得到1-phenyl-3-piperidin-4-yl-imidazolidin-2-one
  参考文献：
  名称：

  Oxygenated N-aryl-diazacyclic compounds

  摘要：

  一种已知的工艺，用于制造式子为##STR1##的含氧N-芳基二氮杂环化合物，其中R.sub.1和R.sub.2分别代表取代或未取代的芳基基团，而alk代表将两个氮原子相互分离的较低碳数的烷基链，其碳数为2或3，或其盐。这些新型化合物可用作降压剂、抗心动过速剂和α-受体阻滞剂。

  公开号：

  US04217350A1

文献信息

• INDOLES
  申请人：GlaxoSmithKline LLC

  公开号：US20130345200A1

  公开（公告）日：2013-12-26

  Herein are disclosed indoles of formula (I) where the various groups are defined herein, and which are useful for treating cancer.

  本文公开了式(I)中各个基团的定义，并且这些化合物对于治疗癌症是有用的。
• Benzimidazole Derivatives As PI3 Kinase Inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US20140378456A1

  公开（公告）日：2014-12-25

  This invention relates to the use of benzimidazole derivatives for the modulation, notably the inhibition of the activity or function of the phosphoinositide 3′ OH kinase family (hereinafter PI3 kinases), suitably, PI3Kα, PI3Kδ, PI3Kβ, and/or PI3Kγ. Suitably, the present invention relates to the use of benzimidazoles in the treatment of one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries. More suitably, the present invention relates to PI3Kβ selective benzimidazoles compounds for treating cancer.

  本发明涉及苯并咪唑衍生物的使用，用于调节磷脂酰肌醇3′ OH激酶家族（以下简称PI3激酶）的活性或功能，特别是抑制其活性或功能，适当地，PI3Kα、PI3Kδ、PI3Kβ和/或PI3Kγ。适当地，本发明涉及苯并咪唑在治疗以下一种或多种疾病状态中的使用：自身免疫性疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官衰竭、肾脏疾病、血小板聚集、癌症、精子运动能力、移植排斥、移植物排斥和肺部损伤。更适当地，本发明涉及PI3Kβ选择性苯并咪唑化合物用于治疗癌症。
• INFLAMMATORY CYTOKINE RELEASE INHIBITOR
  申请人：MUTO Susumu

  公开号：US20090192122A2

  公开（公告）日：2009-07-30

  A medicament having inhibitory activity against NF-κB activation, which comprises a compound represented by the following general formula (I) or a pharmacologically acceptable salt as an active ingredient: wherein X represents a connecting group, A represents hydrogen atom or acetyl group, E represents an aryl group or a heteroaryl group, and ring X represents an arene or a heteroarene.

  一种具有抑制NF-κB激活活性的药物，其包括以下通式(I)所表示的化合物或其药理学上可接受的盐作为活性成分：其中X代表连接基，A代表氢原子或乙酰基，E代表芳基或杂芳基，环X代表芳烃或杂芳烃。
• Aminopyrazine Derivative and Medicine
  申请人：FUJIHARA Hidetaka

  公开号：US20130131082A1

  公开（公告）日：2013-05-23

  The present invention relates to a compound represented by general formula [1] satisfying the following (I) or (II), or a pharmaceutically acceptable salt of the compound. (I) X is CH or N; R 1 is a halogen atom; and R 2 is H, a halogen atom, CN, [2], [3], [8], [9], an —O-alkyl, an —O-(saturated ring), etc. [2]: —C(R C ) (R D ) (R E ) (R C to R E each are H, an alkyl, etc.) [3]: —N(R F ) (R G ) (R F and R G each are H, OH, amino, a (hetero) aryl, etc.) [8]: —C(═O)R L (R L is an alkyl, OH, an alkoxy, amino, etc.) [9]: a (substituted)phenyl; (II) X is ≧C—C(═O)R B (R B is a (substituted)amino, an alkoxy, OH, etc.); R 1 is a halogen atom; and R 2 is H; and R 3 is H or OH; and R 4 and R 5 each are H or an alkyl.

  本发明涉及一种由通式[1]表示的化合物，满足以下(I)或(II)，或化合物的药学可接受的盐。(I) X是CH或N; R1是卤素原子; R2是H、卤素原子、CN、[2]、[3]、[8]、[9]、—O-烷基、—O-(饱和环)等。[2]:—C(RC)(RD)(RE)(RC到RE每个都是H、烷基等)。[3]:—N(RF)(RG)(RF和RG每个都是H、OH、氨基、(杂)芳基等)。[8]:—C(═O)RL(RL是烷基、OH、烷氧基、氨基等)。[9]:一个(取代)苯基；(II) X是≧C—C(═O)RB(RB是(取代)氨基、烷氧基、OH等);R1是卤素原子; R2是H; R3是H或OH; R4和R5每个都是H或烷基。
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：INFINITY PHARMACEUTICALS, INC.

  公开号：US20130267521A1

  公开（公告）日：2013-10-10

  Compounds and pharmaceutical compositions that modulate kinase activity, including PI3 kinase activity, and compounds, pharmaceutical compositions, and methods of treatment of diseases and conditions associated with kinase activity, including PI3 kinase activity, are described herein.

  本文描述了调节激酶活性（包括PI3激酶活性）的化合物和制药组合物，以及与激酶活性（包括PI3激酶活性）相关的疾病和病症的治疗方法、化合物和制药组合物。

表征谱图