蓝宝石粉 | 1317-82-4

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 中文名称: 蓝宝石粉
• 英文名称: aluminium oxide
• 英文别名: aluminum oxide；oxo(oxoalumanyloxo)alumane；alumina；aluminum(III) oxide；dialuminum trioxide；2,4,5-Trioxa-1,3-dialuminabicyclo[1.1.1]pentane
• CAS: 1317-82-4
• 化学式: Al₂O₃
• 分子量: 101.961
• InChiKey: TWNQGVIAIRXVLR-UHFFFAOYSA-N

物化性质

• 密度：
  3.89 g/cm3
• 物理描述：
  Emery is an odorless, white, crystalline powder. Natural aluminum oxide. Very high melting and hard. Used for polishing, grinding, and abrasive operations. An inhalation hazard when present as a dust.

计算性质

• 辛醇/水分配系数(LogP)：
  -1.07
• 重原子数：
  5
• 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：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

铝通过口服或吸入暴露的吸收情况很差，基本上不通过皮肤吸收。铝的生物利用度受到铝化合物的影响，以及饮食成分的存在，这些成分可以与铝形成络合物，增强或抑制其吸收。铝在血液中与各种配体结合，并分布到每个器官，其中在骨骼和肺组织中的浓度最高。在生物体中，铝被认为存在四种不同形式：作为自由离子，作为低分子量络合物，作为物理结合的大分子络合物，以及作为共价结合的大分子络合物。吸收的铝主要通过尿液排出，其次是在胆汁中，而未吸收的铝则通过粪便排出。(L739)

Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739)

来源:Toxin and Toxin Target Database (T3DB)

代谢

铝通过口服或吸入暴露后吸收不良，并且基本上不通过皮肤吸收。铝的生物利用度受到铝化合物的影响，以及饮食成分的存在，这些成分可以与铝形成络合物，增强或抑制其吸收。铝在血液中与各种配体结合，并分布到每个器官，其中在骨骼和肺组织中浓度最高。在生物体中，铝被认为存在四种不同形式：作为自由离子，作为低分子量络合物，作为物理结合的大分子络合物，以及作为共价结合的大分子络合物。吸收的铝主要通过尿液排出，其次是在胆汁中，而未吸收的铝则通过粪便排出。(L739)

Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

铝的主要靶器官是中枢神经系统和骨骼。铝与饮食中的磷结合，并影响胃肠道对磷的吸收。体内磷负荷的降低会导致骨软化（由于骨骼矿化缺陷导致的骨质疏松）和佝偻病。铝的神经毒性被认为涉及多种机制。细胞骨架蛋白功能的改变，如磷酸化、蛋白水解、运输和合成的改变，被认为是其中一个原因。铝可能通过影响血脑屏障的通透性、胆碱能活性、信号转导途径、脂质过氧化以及损害神经元的谷氨酸一氧化氮-环磷酸鸟苷酸途径，以及由于类似的配位化学性质和随后的竞争性相互作用而干扰必需微量元素的代谢，从而诱导神经行为效应。有研究表明，铝与雌激素受体的相互作用增加了雌激素相关基因的表达，从而促进了乳腺癌的进展（A235），但研究尚未能够建立铝与乳腺癌风险增加之间的明确联系（A15468）。某些铝盐通过激活炎症小体来诱导免疫反应。（L739, A235, A236）

The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

铝的主要靶器官是中枢神经系统和骨骼。铝与饮食中的磷结合，并影响胃肠道对磷的吸收。体内磷负荷的降低会导致骨软化（由于骨骼矿化缺陷导致的骨质疏松）和佝偻病。铝的神经毒性被认为涉及多种机制。细胞骨架蛋白功能的改变，如磷酸化、蛋白水解、运输和合成的改变，被认为是其中一个原因。铝可能通过影响血脑屏障的通透性、胆碱能活性、信号转导途径、脂质过氧化以及损害神经元的谷氨酸一氧化氮-环磷酸鸟苷酸途径，以及由于类似的配位化学性质和随后的竞争性相互作用而干扰必需微量元素的代谢，从而诱导神经行为效应。有研究表明，铝与雌激素受体的相互作用增加了雌激素相关基因的表达，从而促进了乳腺癌的进展（A235），但研究尚未能够建立铝与乳腺癌风险增加之间的明确联系（A15468）。某些铝盐通过激活炎症小体来诱导免疫反应。（L739, A235, A236）

The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

未列入国际癌症研究机构(IARC)名录。国际癌症研究机构将铝生产归类为对人类致癌(第1组)，但并未将铝本身视为人类致癌物。(L135)有人提出铝制止汗剂的使用与乳腺癌风险增加之间存在关联(A235)，但研究并未能确立明确的联系(A15468)。

Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

未列入国际癌症研究机构(IARC)名录。国际癌症研究机构将铝生产归类为对人类致癌(第1组)，但并未将铝本身视为人类致癌物。(L135)有人提出铝制止汗剂的使用与乳腺癌风险增加之间存在关联(A235)，但研究并未能确立明确的联系(A15468)。

Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

铝针对神经系统，导致神经系统性能下降，并与血脑屏障功能改变有关。体内铝的积累可能导致骨骼或脑部疾病。高水平的铝与阿尔茨海默病有关。少数人对铝过敏，在接触或摄入含有铝的产品时，会经历接触性皮炎、消化紊乱、呕吐或其他症状。

Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  蓝宝石粉 生成 氧化镁
  参考文献：
  名称：

  MATSUNO, XIROSI;SAGO, FUMIO

  摘要：

  DOI：
• 作为产物：
  描述：

  富铝红柱石 生成 蓝宝石粉
  参考文献：
  名称：

  FUNABASI, TOSIXIKO;KAMINODZONO, AKI;UTIMURA, IOSIXARU

  摘要：

  DOI：
• 作为试剂：
  描述：

  1-trimethylsilanyloxycyclohexanecarbonitrile 在 蓝宝石粉 氢气 作用下， 以 1,4-二氧六环 为溶剂， 以85%的产率得到(1-Trimethylsilyloxycyclohexyl)methanamine
  参考文献：
  名称：

  Process for the preparation of 2-trimethylsilyloxy-ethylamines

  摘要：

  新的2-三甲基硅氧基乙基胺被公开。它们可以通过催化氢化2-位置取代的1-三甲基硅氧基腈来制备。

  公开号：

  US04434289A1

文献信息

• Aminotetralin derivatives
  申请人：Dr. Karl Thomae GmbH

  公开号：US04584293A1

  公开（公告）日：1986-04-22

  This invention related to new aminotetralin derivatives of formula I ##STR1## wherein ##STR2## B is methylene or, when A is --CH.sub.2 --CH.sub.2 --, --CH.dbd.CH--, --NH--CO-- or --CH.sub.2 --CO--, B can also be carbonyl or thiocarbonyl; E is a C.sub.2 -C.sub.4 straight-chain alkylene, optionally substituted by a C.sub.1 -C.sub.3 alkyl, or is 2-hydroxy-n-propylene, 2-hydroxy-n-butylene or 3-hydroxy-n-butylene; R.sub.1 is hydrogen, fluorine, chlorine, bromine, trifluoromethyl, nitro, amino, C.sub.1 -C.sub.3 alkylamino, C.sub.1 -C.sub.3 dialkylamino, C.sub.1 -C.sub.3 alkyl, C.sub.1 -C.sub.3 alkylthio, hydroxy, C.sub.1 -C.sub.3 alkoxy or phenyl C.sub.1 -C.sub.3 alkoxy; R.sub.2 is hydrogen, chlorine, bromine, hydroxy, C.sub.1 -C.sub.3 alkoxy phenyl C.sub.1 -C.sub.3 alkoxy, or C.sub.1 -C.sub.3 alkyl or, together with R.sub.1, can be a C.sub.1 -C.sub.2 alkylenedioxy; R.sub.3 and R.sub.4 are each independently selected from hydrogen, fluorine, chlorine, bromine, C.sub.1 -C.sub.3 alkyl, hydroxy, C.sub.1 -C.sub.3 alkoxy, nitro, amino, C.sub.1 -C.sub.3 alkylamino, or C.sub.1 -C.sub.3 dialkylamino, or together can be methylenedioxy; and R.sub.5 is hydrogen, C.sub.3 -C.sub.5 alkenyl, C.sub.1 -C.sub.3 alkyl, or phenyl C.sub.1 -C.sub.3 alkyl, and nontoxic, pharmaceutically acceptable addition salts thereof which have valuable pharmacological properties, particularly a long-lasting heart rate lowering effect and the effect of reducing the O.sub.2 requirement of the heart.

  这项发明涉及公式I的新的氨基四氢萘衍生物，其中B是亚甲基，当A是--CH.sub.2--CH.sub.2--时，B也可以是羰基或硫代羰基；E是一种C.sub.2-C.sub.4直链烷基，可以选择性地被C.sub.1-C.sub.3烷基取代，或者是2-羟基-n-丙烷基，2-羟基-n-丁烷基或3-羟基-n-丁烷基；R.sub.1是氢、氟、氯、溴、三氟甲基、硝基、氨基、C.sub.1-C.sub.3烷基氨基、C.sub.1-C.sub.3二烷基氨基、C.sub.1-C.sub.3烷基、C.sub.1-C.sub.3烷基硫、羟基、C.sub.1-C.sub.3烷氧基或苯基C.sub.1-C.sub.3烷氧基；R.sub.2是氢、氯、溴、羟基、C.sub.1-C.sub.3烷氧基苯基C.sub.1-C.sub.3烷氧基、或C.sub.1-C.sub.3烷基或者与R.sub.1一起可以是C.sub.1-C.sub.2烷二氧基；R.sub.3和R.sub.4各自独立地选自氢、氟、氯、溴、C.sub.1-C.sub.3烷基、羟基、C.sub.1-C.sub.3烷氧基、硝基、氨基、C.sub.1-C.sub.3烷基氨基或C.sub.1-C.sub.3二烷基氨基，或者一起可以是亚甲基二氧基；R.sub.5是氢、C.sub.3-C.sub.5烯丙基、C.sub.1-C.sub.3烷基或苯基C.sub.1-C.sub.3烷基，以及其无毒的、药学上可接受的盐，具有有价值的药理学特性，特别是长效降低心率和减少心脏对O.sub.2需求的作用。
• Anti-inflammatory oxazole[4,5-b]pyridines
  申请人：Merck & Co., Inc.

  公开号：US04038396A1

  公开（公告）日：1977-07-26

  The various isomers of oxazolo- and thiazolopyridines having utility as antiinflammatory, antipyretic and analgesic agents are prepared by condensation of an appropriate amino-hydroxypyridine or amino-mercaptopyridine with a carboxylic acid, halide or anhydride.

  氧唑和噻唑吡啶的各种异构体，具有抗炎、退热和镇痛作用，通过将适当的氨基-羟基吡啶或氨基-巯基吡啶与羧酸、卤化物或酐进行缩合制备。
• Pyrrolobenzodiazepines
  申请人：Thurston Edwin David

  公开号：US20060148788A1

  公开（公告）日：2006-07-06

  A compound of the formula II: wherein: R′ 2 is CHR″ 2 , where R″ 2 is H. R 6 and R 9 are H and R 7 is OMe and the compound is a dimer with each monomer being the same and being of formula II, where the R 8 groups of the monomers form together a bridge having the formula —O—(CH 2 ) p —O—, where p is 5, linking the monomers.

  化合物的化学式为II：其中：R′2为CHR″2，其中R″2为H。R6和R9为H，R7为OMe，该化合物为二聚体，每个单体都相同且为II式，其中单体的R8基团共同形成一个桥，其化学式为—O—(CH2)p—O—，其中p为5，连接单体。
• Bleaching composition
  申请人：Lever Brothers Company, Division of Conopco, Inc.

  公开号：US05281361A1

  公开（公告）日：1994-01-25

  Novel cationic nitriles, methods of preparing such nitriles and use thereof as cationic peroxyacid bleach precursor in bleaching (detergent) compositions are disclosed. The novel cationic nitriles are non-hygroscopic and are characterized in that they have a counter-anion X.sup.- selected from the group consisting of 1) R-SO.sub.3.sup.-, 2) R-SO.sub.4.sup.-, 3) R-CO.sub.2.sup.-, wherein R is a straight or branched chain, optionally substituted, alkyl, alkylether or alkylene group containing 4 to 20 carbon atoms, or a phenyl or alkyl phenyl group containing 6 to 20 carbon atoms, and 4) any other surfactant anion not falling under the groups 1), 2) and 3).

  本发明揭示了新型阳离子腈，其制备方法以及在漂白（洗涤剂）组合物中作为阳离子过氧酸漂白剂前体的用途。新型阳离子腈是非吸湿性的，并且其特征在于具有来自以下组中选择的对阴离子X.sup.-，即 1）R-SO.sub.3.sup.-，2）R-SO.sub.4.sup.-，3）R-CO.sub.2.sup.-，其中R是直链或支链，可选地取代的含有4至20个碳原子的烷基，烷基醚或烷基烯基基团，或含有6至20个碳原子的苯基或烷基苯基团，以及4）不属于1）、2）和3）组的任何其他表面活性剂阴离子。
• Pyrrolbenzodiazepines
  申请人：Spirogen Limited

  公开号：US07049311B1

  公开（公告）日：2006-05-23

  Compounds of formula (Ia) and (Ib) wherein A is CH2, or a single bond; R2 is selected from: R, OH, OR, CO2H, CO2R, COH, COR, SO2R, CN; R6, R7 and R9 are independently selected from H, R, OH, OR, halo, amino, NHR, nitro, Me3Sn; and R8 is selected from H, R, OH, OR, halo, amino, NHR, nitro, Me3Sn, where R is as defined above, or the compound is a dimer with each monomer being the same or different and being of formula (Ia) or (Ib), where the R8 groups of the monomers form together a bridge having the formula —X—R′—X— linking the monomers, where R′ is an alkylene chain containing from 3 to 12 carbon atoms, which chain may be interrupted by one or more hetero-atoms and/or aromatic rings and may contain one or more carbon—carbon double or triple bonds, and each X is independently selected from O, S, or N; except that in a compound of formula (Ia) when A is a single bond, then R2 is not CH═CH(CONH2) or CH═CH(CONMe2). Other related compounds are also disclosed

  化合物的公式(Ia)和(Ib)，其中A为CH2或单键；R2从以下选取：R、OH、OR、CO2H、CO2R、COH、COR、SO2R、CN；R6、R7和R9独立地从H、R、OH、OR、卤素、氨基、NHR、硝基、Me3Sn中选取；R8从H、R、OH、OR、卤素、氨基、NHR、硝基、Me3Sn中选取，其中R如上所定义，或该化合物是二聚体，每个单体都是公式(Ia)或(Ib)的相同或不同，其中单体的R8基共同形成一个桥，该桥具有公式—X—R′—X—，连接单体，其中R′是含有3到12个碳原子的烷基链，该链可以被一个或多个杂原子和/或芳香环打断，并且可以包含一个或多个碳-碳双键或三键，每个X独立地从O、S或N中选取；但在公式(Ia)的化合物中，当A为单键时，R2不是CH═CH(CONH2)或CH═CH(CONMe2)。还披露了其他相关化合物。