ammonium hydrate | 51585-49-0

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 非金属氧阴离子化合物
• 英文名称: ammonium hydrate
• 英文别名: ammonium water；ammonium hydroxide；azanium;hydrate
• CAS: 51585-49-0
• 化学式: H₂O*H₄N
• 分子量: 36.0537
• InChiKey: VHUUQVKOLVNVRT-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  2
• 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：
  2
• 氢给体数：
  3
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  D-(-)-苯甘氨酸酰氯盐酸盐 、 ammonium hydrate 在 氯仿 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 8.0h， 以to afford 1.7 g of the title compound as a white solid的产率得到左旋苯甘氨酸酰胺
  参考文献：
  名称：

  2-Ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents

  摘要：

  化合物是公式（I）的2-脲基-1,3-噻唑衍生物，其中R是卤素原子，硝基，可选择性取代的氨基或者是一种基团，可选择性进一步取代，选择自：i）直链或支链C1-C6烷基；ii）C3-C6环烷基；iii）在直链或支链烷基链中含有1至6个碳原子的芳基或芳基烷基；R1是可选择性取代的基团，选择自：i）直链或支链C1-C6烷基；ii）3至6个成员的碳环或5至7个成员的杂环环；iii）芳基或芳基羰基；iv）在直链或支链烷基链中含有1至6个碳原子的芳基烷基：R2是氢，直链或支链C1-C4烷基或C2-C4烯基或炔基；或者，与它们所结合的氮原子一起，R1和R2形成一个取代或未取代的基团，选择自：i）可选择性苯并或桥接的5至7个成员的杂环；或ii）一个9至11个成员的螺-杂环化合物；或其药学上可接受的盐；对于治疗与改变的细胞依赖性激酶活性相关的细胞增殖性疾病有用。

  公开号：

  US20030187040A1
• 作为产物：
  描述：

  氨 、 水 以 gaseous matrix 为溶剂， 生成 ammonium hydrate 、 Ammonium
  参考文献：
  名称：

  Studies of the binary reactions of H₃O⁺⋅(H₂O)_0,1,2 ions and their deuterated analogues with D₂O, H₂O, and NH₃

  摘要：

  The rate coefficients and product ion distributions for the binary reactions of H3O+⋅(H2O)0,1,2 and D3O+⋅(D2O)0,1,2 ions with D2O and H2O, respectively, and with NH3 have been studied at 300 K using a selected ion flow tube (SIFT) apparatus. The ions were created in a flowing afterglow ion source and after mass filtering were injected at low energy into the SIFT. All the reactions proceeded at or near the gas kinetic limit. In the D2O and H2O thermoneutral isotopic exchange reactions, the distribution of H and D amongst the product ions and neutrals was seen to be purely statistical. This implies that these reactions proceed via the formation of an intermediate long-lived association ion in which total randomization of the H and D atoms takes place prior to unimolecular decomposition. No appreciable isotopic exchange occurred in the exothermic NH3 reactions which apparently proceeded via the simpler mechanisms of D+ (or H+) or D3O+ (or H3O+) transfer. The differing mechanisms for the H2O and D2O reactions compared to the NH3 reactions are rationalized in terms of the thermicities of the reactions and the lifetimes of the respective intermediate ions.

  DOI：

  10.1063/1.439781
• 作为试剂：
  描述：

  chlorek kwasu 6-chloro-3-metylotio-1,1-diokso-1,4,2-benzoditiazyno-7-karboksylowego 在 ammonium hydrate 作用下， 以 苯 为溶剂， 生成 6-chloro-3-metylotio-1,1-diokso-1,4,2-benzoditiazyno-7-karboksyamid
  参考文献：
  名称：

  Novel 3-Amino-6-chloro-7-(azol-2 or 5-yl)-1,1-dioxo-1,4,2-benzodithiazine Derivatives with Anticancer Activity: Synthesis and QSAR Study

  摘要：

  一系列新的 3-氨基-6-氯-7-(azol-2 或 5-yl)-1,1-二氧代-1,4,2-苯并二噻嗪衍生物 5a–j 已被合成并在体外评估美国国家癌症研究所的抗增殖活性。最活跃的化合物 5h 对卵巢癌 (OVCAR-3) 和乳腺癌 (MDA-MB-468) 表现出显着的细胞毒性作用（癌细胞死亡分别为 10% 和 47%），并对前列腺癌 (DU-145) 具有良好的选择性）、结肠（SW-620）和肾（TK-10）癌细胞系。为了更深入地了解新化合物 5a-j 的结构-活性关系，已经应用了 QSAR 研究。理论计算允许识别属于 RDF（分别在 MOLT-4 和 UO-31 QSAR 模型中的 RDF055p 和 RDF145m）和 3D-MorSE（MOLT-4 和 UO-31 QSAR 模型中的 Mor32m 和 Mor16e）描述符的分子描述符类。基于这些数据，获得了具有良好鲁棒性和预测能力的QSAR模型。

  DOI：

  10.3390/molecules201219821

文献信息

• Two new 2-D frameworks based on tetra-copper(II)-substituted sandwich-type polyoxotungstate anions and [Cu₂(dien)₂(OH)]³⁺ cations
  作者：Pengtao Ma、Yongna Zhang、Jie Li

  DOI：10.1080/00958972.2014.940336

  日期：2014.7.3

  polyoxometalates [Cu(dien)(H2O)]2[Cu2(dien)2(OH)]2[Cu4(B-α-XW9O33)2]}·4H2O (X = Sb, 1; X = As, 2) (dien = diethylenetriamine) were hydrothermally synthesized and characterized by elemental analysis, IR spectra, thermogravimetric (TG) analyses, and single-crystal X-ray diffraction. Both compounds are constructed from one four-coordinate [Cu(dien)(H2O)]2+, one [Cu2(dien)2(OH)]2[Cu4(B-α-XW9O33)2]} building unit

  两种新的有机-无机多金属氧酸盐 [Cu(dien)(H2O)]2[Cu2(dien)2(OH)]2[Cu4(B-α-XW9O33)2]}·4 (X = Sb, 1; X = As, 2) (dien = 二亚乙基三胺) 是水热合成的，并通过元素分析、红外光谱、热重 (TG) 分析和单晶 X 射线衍射表征。两种化合物均由一个四配位 [Cu(dien)( )]2+、一个 [Cu2(dien)2(OH)]2[Cu4(B-α-XW9O33)2]} 构建单元构成，并且四个水分子结晶。结构分析表明，夹心状聚氧钨酸簇阴离子 [Cu4(B-α-XW9O33)2]10- 由六个相邻的二聚阳离子 [Cu2(dien)2(OH)]3+ 连接成二维结构(6,3)-连通拓扑。1 和 2 的磁测量表明在四核 CuII 簇内存在反铁磁相互作用。
• Indole derivative having piperidine ring
  申请人：Suzuki Yuichi

  公开号：US20050256103A1

  公开（公告）日：2005-11-17

  The present invention relates to a compound represented by the following formula, a pharmacologically acceptable salt thereof, or a use thereof as a pharmaceutical: wherein R 1 and R 2 are substituents adjacent to each other, and together with two carbon atoms to each of which they attach, form a 5- to 7-membered non-aromatic carbocyclic group or the like, which may be substituted by 1 to 4 substituents selected from (1) an oxo group, (2) a hydroxyl group, and the like; R 3 represents a hydrogen atom or the like; and R 6 represents a hydrogen atom or the like. It is an object of the present invention to discover an agent for treating or preventing lower urinary tract symptoms, and particularly symptoms regarding urinary storage, which has a superior strength of binding to a 5-HT1A receptor and an antagonism to the receptor.

  本发明涉及以下公式所示的化合物、其药理学可接受的盐或其作为药物的用途：其中R1和R2是相邻的取代基，与它们附着的两个碳原子一起形成一个5至7成员的非芳香族碳环基团或类似物，该基团可以被1至4个取代基所取代，所述取代基被选自（1）氧代基，（2）羟基等；R3代表氢原子或类似物；R6代表氢原子或类似物。本发明的目的是发现一种治疗或预防下尿路症状，特别是涉及尿储存的症状的药物，该药物具有对5-HT1A受体的优异结合力和拮抗作用。
• Phenylacetamido-thiazole derivatives, process for the preparation and their use as antitumor agents
  申请人：——

  公开号：US20040235919A1

  公开（公告）日：2004-11-25

  Compounds represented by formula (I), as defined in the description, wherein R is a hydrogen atom or a methyl group and R1 is a group as defined in the specification, or a pharmaceutically acceptable salt thereof, are disclosed; the said compounds are useful in the treatment of cell proliferative disorders, e.g. cancer, associated with an altered cell cycle dependent kinase activity.

  本发明涉及由式(I)所表示的化合物，其中R表示氢原子或甲基基团，R1表示规范中定义的基团或其药学上可接受的盐，这些化合物在治疗与细胞周期依赖性激酶活性改变相关的细胞增殖性疾病，例如癌症方面具有用途。
• Pyrazolo-Quinazoline Derivatives, Process for Their Preparation and Their Use as Kinase Inhibitors
  申请人：Traquandi Gabriella

  公开号：US20090124605A1

  公开（公告）日：2009-05-14

  Pyrazolo-quinazoline derivatives of formula (Ia) or (Ib) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be useful, in therapy, in the treatment of diseases associated with a disregulated protein kinase activity, like cancer.

  本发明公开了式(Ia)或(Ib)的吡唑喹唑啉衍生物及其药学上可接受的盐，以及其制备方法和包含它们的制药组合物；本发明的化合物在治疗与蛋白激酶活性失调有关的疾病，如癌症中可能有用。
• Indole Derivative Having Piperidine Ring
  申请人：Suzuki Yuichi

  公开号：US20070219179A1

  公开（公告）日：2007-09-20

  The present invention relates to a compound represented by the following formula, a pharmacologically acceptable salt thereof, or a use thereof as a pharmaceutical: wherein R 1 and R 2 are substituents adjacent to each other, and together with two carbon atoms to each of which they attach, form a 5- to 7-membered non-aromatic carbocyclic group or the like, which may be substituted by 1 to 4 substituents selected from (1) an oxo group, (2) a hydroxyl group, and the like; R 3 represents a hydrogen atom or the like; and R 6 represents a hydrogen atom or the like. This compound has a superior strength of binding to a 5-HT1A receptor and an antagonism to the receptor, and is useful as an agent for treating or preventing lower urinary tract symptoms, and particularly symptoms regarding urinary storage.

  本发明涉及一种化合物，其表示为以下公式，其药理学上可接受的盐或其用途作为药物：其中R1和R2是相邻的取代基，并与它们附着的两个碳原子一起形成一个5-至7-成员的非芳香族碳环基团或类似物，该基团可以被1至4个取代基所取代，所述取代基包括(1)氧代基、(2)羟基等；R3表示氢原子或类似物；R6表示氢原子或类似物。该化合物具有优越的与5-HT1A受体结合的强度和对受体的拮抗作用，并可用作治疗或预防下尿路症状，特别是涉及尿液储存的症状的药剂。