potassium dihydrogenphosphate

• 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: potassium dihydrogenphosphate
• 英文别名: potassium phosphate；potassium phosphate monobasic；KH2PO4；monopotassium phosphate；monobasic potassium phosphate；potassium dihydrogen orthophosphate；potassium hydrogen phosphate；potassium phosphate tribasic；potassium phosphate dibasic；potassium dihydrophosphate；potassium phosphoric acid；K3PO4；potassium;dihydrogen phosphate
• 化学式: H₂KO₄P
• 分子量: 136.086
• InChiKey: GNSKLFRGEWLPPA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.56
• 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：
  80.6
• 氢给体数：
  2
• 氢受体数：
  4

ADMET

毒理性

• 暴露途径

这种物质可以通过摄入被身体吸收。

The substance can be absorbed into the body by ingestion.

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

毒理性

• 吸入症状

咳嗽。

Cough.

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

腹痛。呕吐。腹泻。恶心。

Abdominal pain. Vomiting. Diarrhoea. Nausea.

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

吸收、分配和排泄

• 吸收

钾盐在胃肠道中吸收良好。摄入的磷酸盐从胃肠道吸收。然而，大量的钙或铝的存在可能导致不溶性磷酸盐的形成，并减少净吸收。维生素D促进磷酸盐的吸收。

Potassium salts are well absorbed from the GI tract. Ingested phosphates are absorbed from the gastrointestinal tract. However, the presence of large amounts of calcium or aluminum may lead to formation of insoluble phosphate and reduce the net absorption. Vitamin D stimulates phosphate absorption.

来源:DrugBank

吸收、分配和排泄

• 消除途径

肾脏（90%）和粪便（10%）磷酸盐 钾主要通过肾脏排出。少量的钾可能通过皮肤和肠道排出，但进入肠道的钾大部分后来被重新吸收。

Renal (90%) and fecal (10%) Phosphates Potassium is excreted mainly by the kidneys. Small amounts of potassium may be excreted via the skin and intestinal tract, but most of the potassium excreted into the intestine is later reabsorbed.

来源:DrugBank

吸收、分配和排泄

• 分布容积

钾首先进入细胞外液，然后被积极运输到细胞内，其在细胞内的浓度可达到细胞外浓度的40倍。葡萄糖、胰岛素和氧气促进钾进入细胞。

Potassium first enters the extracellular fluid and is then actively transported into the cells where its concentration is up to 40 times that outside the cell. Dextrose, insulin, and oxygen facilitate movement of potassium into cells.

来源:DrugBank

吸收、分配和排泄

• 清除

磷酸盐可以通过透析迅速清除。透析还可以用来治疗其他电解质异常，如高钠血症、低钙血症和低镁血症。

Phosphates are rapidly cleared by dialysis. Dialysis can also be used to treat other electrolyte abnormalities such as hypernatremia, hypocalcemia, and hypomagnesemia.

来源:DrugBank

吸收、分配和排泄

静脉输注的磷如果不被组织吸收，几乎全部通过尿液排出。

Intravenously infused phosphorus not taken up by the tissues is excreted almost entirely in the urine.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  potassium dihydrogenphosphate 以 neat (no solvent) 为溶剂， 生成 磷酸肌酸
  参考文献：
  名称：

  Koval'. V. A.; Nagornyi, P. C., Journal of applied chemistry of the USSR, 1990, vol. 63, p. 2373 - 2376

  摘要：

  DOI：
• 作为产物：
  描述：

  calcium hydrogen phosphate 在 KHSO₄ 作用下， 生成 potassium dihydrogenphosphate
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: K: MVol.5, 3.8, page 984 - 994

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-benzyl-7-bromoisoquinolin-2-ium bromide 在 potassium dihydrogenphosphate 、 N-溴代丁二酰亚胺(NBS) 作用下， 以 1,2-二氯乙烷 为溶剂， 以55 %的产率得到4,7-二溴异喹啉
  参考文献：
  名称：

  通过 N-苄基活化策略对吖嗪进行自由基间 C-H 卤化

  摘要：

  六元N-杂芳烃的区域选择性卤化对于精确的功能衍生化至关重要。我们提出了一种利用N-苄基活化策略通过亲电卤素自由基加成对吡啶、喹啉和异喹啉进行间位选择性卤化的方法。该方法实现了吡啶中的C3-和C5-二卤化、喹啉中的C3-和C6-二卤化以及异喹啉中的C3-单卤化。通过放大反应和喹啉衍生物与生物分子片段的溴化验证了该方法的可行性和潜在应用。

  DOI：

  10.1021/acs.orglett.4c01643

文献信息

• Vitamin D analogues
  申请人：Leo Pharmaceutical Products LTD

  公开号：US05206229A1

  公开（公告）日：1993-04-27

  ##STR1## The present invention relates to compounds of formula (I), in which formula, n is an integer from 1-7; and R.sup.1 and R.sup.2, which may be the same or different, stand for hydrogen, or lower alkyl (but with the proviso that when n=1, R.sup.1 and R.sup.2 cannot simultaneously be hydrogen, nor can R.sup.1 and R.sup.2 simultaneously be an alkyl group independently chosen from methyl, ethyl and normal-propyl, and when n=2, R.sup.1 and R.sup.2 cannot simultaneously be methyl), or lower cyclo-alkyl, or, taken together with the carbon (starred in formula I) bearing the hydroxyl group, R.sup.1 and R.sup.2 can form a saturated or unsaturated C.sub.3 -C.sub.9 carbocyclic ring; and R.sup.3 and R.sup.4 represent either simultaneously hydrogen, or when taken together constitute a bond, such that a double bond connects carbons 22 and 23; including diastereoisomeric forms (e.g. E or Z configuration of the 22,23-double bond; R or S configuration at the starred carbona atom) of the compounds of formula (I), in pure form or in mixtures. The present compounds find use in both the human and veterinary practice and show antiinflammatory and immuno-modulating effects as well as strong activity in inducing differentiation and inhibiting undesirable proliferation of certain cells, including cancer cells and skin cells.

  本发明涉及具有公式(I)的化合物，其中n是1-7之间的整数；R1和R2可以是相同的或不同的，代表氢或低级烷基（但是当n=1时，R1和R2不能同时是氢，也不能同时是甲基、乙基和正丙基中独立选择的烷基，当n=2时，R1和R2不能同时是甲基），或低级环烷基，或与带有羟基的碳（在公式I中以星号标记）一起，R1和R2可以形成一个饱和或不饱和的C3-C9碳环；R3和R4要么同时代表氢，要么一起构成一个键，使得一个双键连接碳22和23；包括公式(I)的化合物的对映异构体形式（例如，22,23-双键的E或Z构型；星号碳原子的R或S构型），无论是纯净物还是混合物。本发明的化合物在人类和兽医实践中均有应用，并显示出抗炎和免疫调节效果，以及强烈的诱导分化和抑制某些细胞（包括癌细胞和皮肤细胞）的不希望繁殖的活性。
• 3-thioheteroaryl cephalosporin compounds, compositions and methods of use
  申请人：Merck & Co., Inc.

  公开号：US05498777A1

  公开（公告）日：1996-03-12

  Cephalosporin compounds of the formula I ##STR1## are disclosed. The compounds are useful against MRSA/MRCNS. Compositions and methods of use are also included.

  公开了式I的头孢菌素化合物。这些化合物对抗MRSA/MRCNS有用。还包括使用的组合物和方法。
• Herbicidal 5-substituted pyrimidine compounds and derivatives thereof
  申请人：Zeneca Limited

  公开号：US05714438A1

  公开（公告）日：1998-02-03

  Herbicidal 5-substituted pyrimidine compounds and derivatives thereof of the formula: ##STR1## Herbicidal compositions containing such 5-substituted pyrimidine compounds and derivatives thereof and methods of controlling undesirable vegetation using these compounds and derivatives are also disclosed. The compounds in which XR is hydroxyl are also useful as intermediates for producing the 5-substituted pyrimidine derivatives of the invention.

  除草剂5-取代嘧啶化合物及其衍生物的化学式为：##STR1## 还公开了含有这种5-取代嘧啶化合物及其衍生物的除草剂组合物，以及利用这些化合物和衍生物控制不良植被的方法。其中XR为羟基的化合物也可用作制备本发明的5-取代嘧啶衍生物的中间体。
• Substituted triazolinones, triazolinethiones, and triazolinimines as
  申请人：Merck & Co., Inc.

  公开号：US05411980A1

  公开（公告）日：1995-05-02

  There are disclosed new substituted triazolinone, triazolinethione, and triazolinimine compounds which are useful as angiotensin II antagonists. These compounds have the general formula: ##STR1## wherein G is R.sup.1 or ##STR2##

  已披露了新的取代三唑酮，三唑硫酮和三唑亚胺化合物，这些化合物可用作血管紧张素II拮抗剂。这些化合物具有一般式：##STR1## 其中G为R.sup.1或##STR2##
• Catecholamine surrogates useful as .beta..sub.3 agonists
  申请人：Bristol-Myers Squibb Company

  公开号：US05776983A1

  公开（公告）日：1998-07-07

  Compounds of the formula ##STR1## or pharmaceutically acceptable salts thereof wherein: A is a bond, --(CH.sub.2).sub.n -- or --CH(B)--, where n is an integer of 1 to 3 and B is --CN, --CON(R.sup.9)R.sup.9' or --CO.sub.2 R.sup.7 ; R.sup.1 is lower alkyl, aryl or arylalkyl; R.sup.2 is hydrogen, hydroxy, alkoxy, --CH.sub.2 OH, cyano, --C(O)OR.sup.7, --CO.sub.2 H, --CONH.sub.2, tetrazole, --CH.sub.2 NH.sub.2 or halogen; ##STR2## R.sup.3 is hydrogen, alkyl, heterocycle or R.sup.4 is hydrogen, alkyl or B; R.sup.5, R.sup.5', R.sup.8, R.sup.8' or R.sup.8" are independently hydrogen, alkoxy, lower alkyl, halogen, --OH, --CN, --(CH.sub.2).sub.n NR.sup.6 COR.sup.7, --CON(R.sup.6)R.sup.6', --CON(R.sup.6)OR.sup.6', --CO.sub.2 R.sup.6, --SR.sup.7, --SOR.sup.7, --SO.sub.2 R.sup.7, --N(R.sup.6)SO.sub.2 R.sup.1, --N(R.sup.6)R.sup.6', --NR.sup.6 COR.sup.7, --OCH.sub.2 CON(R.sup.6)R.sup.6', --OCH.sub.2 CO.sub.2 R.sup.7 or aryl; or R.sup.5 and R.sup.5' or R.sup.8 and R.sup.8' may together with the carbon atoms to which they are attached form an aryl or heterocycle; R.sup.6 and R.sup.6' are independently hydrogen or lower alkyl; and R.sup.7 is lower alkyl; R.sup.9 is hydrogen, lower alkyl, alkyl, cycloalkyl, arylalkyl, aryl, heteroaryl; or R.sup.9 and R.sup.9' may together with the nitrogen atom to which they are attached form a heterocycle; with the proviso that when A is a bond or --(CH.sub.2).sub.n and R.sup.3 is hydrogen or unsubstituted alkyl, then R.sup.4 is B or substituted alkyl. These compounds are beta.sub.3 adrenergic receptor agonists and are useful, therefore for example, in the treatment of diabetes, obesity and gastrointestinal diseases.

  公式为##STR1##的化合物或其药学上可接受的盐，其中：A是键，--(CH.sub.2).sub.n --或--CH(B)--，其中n是1到3的整数，B是--CN，--CON(R.sup.9)R.sup.9'或--CO.sub.2 R.sup.7；R.sup.1是较低的烷基，芳基或芳基烷基；R.sup.2是氢，羟基，烷氧基，--CH.sub.2 OH，氰基，--C(O)OR.sup.7，--CO.sub.2 H，--CONH.sub.2，四唑基，--CH.sub.2 NH.sub.2或卤素；##STR2## R.sup.3是氢，烷基，杂环或R.sup.4是氢，烷基或B；R.sup.5，R.sup.5'，R.sup.8，R.sup.8'或R.sup.8"独立地是氢，烷氧基，较低烷基，卤素，--OH，--CN，--(CH.sub.2).sub.n NR.sup.6 COR.sup.7，--CON(R.sup.6)R.sup.6'，--CON(R.sup.6)OR.sup.6'，--CO.sub.2 R.sup.6，--SR.sup.7，--SOR.sup.7，--SO.sub.2 R.sup.7，--N(R.sup.6)SO.sub.2 R.sup.1，--N(R.sup.6)R.sup.6'，--NR.sup.6 COR.sup.7，--OCH.sub.2 CON(R.sup.6)R.sup.6'，--OCH.sub.2 CO.sub.2 R.sup.7或芳基；或R.sup.5和R.sup.5'或R.sup.8和R.sup.8'可以与它们连接的碳原子一起形成芳基或杂环；R.sup.6和R.sup.6'独立地是氢或较低烷基；R.sup.7是较低烷基；R.sup.9是氢，较低烷基，烷基，环烷基，芳基烷基，芳基，杂芳基；或R.sup.9和R.sup.9'可以与它们连接的氮原子一起形成杂环；但是当A是键或--(CH.sub.2).sub.n且R.sup.3是氢或未取代烷基时，R.sup.4是B或取代烷基。这些化合物是β.sub.3肾上腺素受体激动剂，因此在糖尿病、肥胖症和胃肠疾病的治疗中很有用。

表征谱图