4-脲基-苯甲酸 | 6306-25-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-脲基-苯甲酸
• 英文名称: 4-ureidobenzoic acid
• 英文别名: p-ureidobenzoic acid；4-ureido-benzoic acid；4-Ureido-benzoesaeure；(4-Carboxy-phenyl)-harnstoff；4-carbamoylaminobenzoic acid；4-(1-Ureido)benzoic acid；4-[(Aminocarbonyl)amino]benzoic acid；4-(carbamoylamino)benzoic acid
• CAS: 6306-25-8
• 化学式: C₈H₈N₂O₃
• mdl: MFCD00025432
• 分子量: 180.163
• InChiKey: HOVRQUHNZHBKKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2924299090

SDS

4-脲基苯甲酸MSDS英文版

反应信息

• 作为反应物：
  描述：

  4-脲基-苯甲酸 在 磷酸酐 作用下， 生成 对氨基苯腈
  参考文献：
  名称：

  Skin disorders and thyroid diseases

  摘要：

  Thyroid disorders have a high prevalence in medical practice; they are associated with a wide range of diseases with which they may or may not share etiological factors. One of the organs which best show this wide range of clinical signs is the skin. This review is an attempt to approach most of the dermopathies reflecting several degrees of harmfulness, coming directly or indirectly from thyroid abnormalities, as well as to update current knowledge on the relationship between the thyroid and skin. We have proposed a primary classification of skin disorders, regarding thyroid involvement, into two main groups: 1) dermopathies associated with thyroid abnormalities, mainly with autoimmune thyroid diseases, like melasma, vitiligo, Sjogren's syndrome, alopecia, idiopathic hirsutism, pre-menstrual acne, bullous diseases, connective tissue diseases, hamartoma syndrome, atopy, leprosy and DiGeorge anomaly; and 2) dermopathies depending on the nature of the thyroid disorder, in which the evolution and outcome of the skin disorder depend on the thyroidal treatment in most cases, such as trophism and skin blood flow, myxedema, alopecia, onychodystrophy, hypo- and hyperhidrosis, xanthomas, intraepidermal bullae, carotenodermia, pruritus, flushing, pyodermitis, palmoplantar keratoderma, ecchymosis, etc. In some other cases, the skin disease which developed as a consequence of the thyroid abnormality can remain unaltered despite functional treatment of the thyroid problem, such as pretibial myxedema, thyroid acropachy and some cutaneous manifestations of multiple endocrine neoplasia types 2A and 2B. (J. Endocrinol. Invest. 24: 628-638, 2001) (C) 2001, Editrice Kurtis.

  DOI：

  10.1007/bf03343905
• 作为产物：
  描述：

  4-异氰酰基苯甲酸甲酯 在 氨 、 lithium hydroxide 作用下， 生成 4-脲基-苯甲酸
  参考文献：
  名称：

  [EN] ANTI-PCSK9 COMPOUNDS AND METHODS FOR THE TREATMENT AND/OR PREVENTION OF CARDIOVASCULAR DISEASES
  [FR] COMPOSÉS ANTI-PCSK9 ET MÉTHODES DE TRAITEMENT ET/OU DE PRÉVENTION DE MALADIES CARDIO-VASCULAIRES

  摘要：

  揭示了调节前蛋白酶转化亚硫酸酯酶基因型9（PCSK9）生理作用的化合物，以及利用这些调节剂降低低密度脂蛋白胆固醇水平和/或用于治疗和/或预防心血管疾病（CVD），包括治疗高胆固醇血症的方法。

  公开号：

  WO2014150395A1

文献信息

• Protecting Group Free Synthesis of Carboxyl-substituted Dihydropyrimidines Through Biginelli Reaction
  作者：Eugeniy N. Ostapchuk、Andrey S. Plaskon、Oleksandr O. Grygorenko、Andrey A. Tolmachev、Sergey V. Ryabukhin

  DOI：10.1002/jhet.1568

  日期：2013.11

  acetoacetic acid derivatives, and various carboxyl‐containing ureas was explored. It was found that the steric load of the urea substituents influenced strongly the reaction outcome; in particular, the method was efficient only in the case of unbranched mono‐substituted ureas bearing either aliphatic or aromatic groups. The method allows performing a one‐pot, protecting group free synthesis of dihydropyrimidines

  探索了氯三甲基硅烷促进的苯甲醛，乙酰乙酸衍生物和各种含羧基尿素的Biginelli型反应。发现脲取代基的空间负荷强烈影响反应结果。特别是，该方法仅在带有脂肪族或芳香族基团的直链单取代尿素中有效。该方法可以进行具有保护功能的二氢嘧啶的单锅，无保护基的合成。
• [EN] NOVEL CYSTOBACTAMIDE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS DE CYSTOBACTAMIDES
  申请人：HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH

  公开号：WO2019038405A1

  公开（公告）日：2019-02-28

  The present invention relates to novel derivatives of cystobactamides of formula (lb) and the use thereof for the treatment or prophylaxis of bacterial infections.

  本发明涉及公式（lb）的半胱菌肽的新颖衍生物及其用于治疗或预防细菌感染的用途。
• Penicillins
  申请人：Bayer Aktiengesellschaft

  公开号：US03931153A1

  公开（公告）日：1976-01-06

  Penicillins of the formula: ##SPC1## And their pharmaceutically acceptable nontoxic salts wherein R.sub.1 is hydrogen, halogen, lower alkyl, hydroxy, nitro or A--NH; A is ##EQU1## wherein R.sub.3 is hydrogen; lower alkyl; halo-(lower alkyl); cycloalkyl of 3 to 11 carbon atoms, unsubstituted or substituted by hydroxy or alkyl of 1 or 2 carbon atoms; cycloalkenyl of 3 to 11 carbon atoms; bicycloalkyl of up to 8 carbon atoms; bicycloalkenyl of up to 8 carbon atoms; aryl of 6 to 10 carbon atoms, unsubstituted or substituted by 1 to 3 substituents selected from the group consisting of alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon atoms, halogen, trifluoromethyl, nitro, amino, alkylsulphonyl of 1 to 4 carbon atoms, and methylenedioxy; azidoaryl of 6 to 10 carbon atoms, azido-(lower alkyl); amino; or thienyl; R.sub.4 is lower alkylamino or arylamino of 6 to 10 carbon atoms; B is a direct bond; CH.sub.2 ; S--CH.sub.2 ; CH=CH; or CO--NH--CH.sub.2 ; E is phenyl or phenyl or thenyl, substituted by hydroxy, azido, lower alkyl, lower alkoxy, lower alkylthio or chlorine; and C* is an asymmetric carbon atom, Are useful for their antibacterial activity against both Gram-positive and Gram-negative bacteria.

  公式为：##SPC1## 的青霉素及其药学上可接受的无毒盐，其中 R.sub.1 是氢、卤素、较低的烷基、羟基、硝基或 A--NH；A 是 ##EQU1## 其中 R.sub.3 是氢；较低的烷基；卤代-(较低的烷基)；3到11个碳原子的环烷基，未取代或取代为羟基或1或2个碳原子的烷基；3到11个碳原子的环烯基；多环烷基，最多含8个碳原子；多环烯基，最多含8个碳原子；6到10个碳原子的芳基，未取代或取代为1到3个取代基，所述取代基选自1到4个碳原子的烷基、1到4个碳原子的烷氧基、卤素、三氟甲基、硝基、氨基、1到4个碳原子的烷基磺酰基和亚甲二氧基；6到10个碳原子的偶氮芳基，偶氮-(较低的烷基)；氨基；或噻吩基；R.sub.4 是6到10个碳原子的较低的烷基氨基或芳基氨基；B 是直接键；CH.sub.2；S--CH.sub.2；CH=CH；或 CO--NH--CH.sub.2；E 是苯基或苯基或噻吩基，取代为羟基、偶氮基、较低的烷基、较低的烷氧基、较低的烷基硫基或氯；C* 是一个不对称碳原子，对其抗菌活性对抗革兰氏阳性和阴性细菌均有用。
• Substituted benzene derivatives useful as neuraminidase inhibitors
  申请人：BioCryst Pharmaceuticals, Inc.

  公开号：US05602277A1

  公开（公告）日：1997-02-11

  A compound of the Formula (I): ##STR1## or pharmaceutically-suitable salts or prodrug forms thereof, wherein: n is 0-1; m is 0; p is 0-1; R.sup.1 is --CO.sub.2 H; R.sup.2 is selected from the group consisting of H, --OH, and --NH.sub.2 ; R.sup.3 is H; R.sup.4 is --C(O)NHR.sup.8 ; R.sup.5 is --NHC(R.sup.6)NH.sub.2 R.sup.6 is selected from the group consisting of .dbd.NH, .dbd.NOH, .dbd.NCN, .dbd.O, and .dbd.S; and R.sup.8 is selected from the group consisting of C.sub.1 -C.sub.4 linear or branched alkyl substituted with 0-3 halogens on each carbon.

  化合物的化学式（I）：##STR1##或其药用盐或前药形式，其中：n为0-1；m为0；p为0-1；R.sup.1为--CO.sub.2 H；R.sup.2选自H、--OH和--NH.sub.2的组；R.sup.3为H；R.sup.4为--C（O）NHR.sup.8；R.sup.5为--NHC（R.sup.6）NH.sub.2 R.sup.6选自.dbd.NH、.dbd.NOH、.dbd.NCN、.dbd.O和.dbd.S的组；R.sup.8选自每个碳上取代有0-3卤素的C.sub.1-C.sub.4直链或支链烷基的组。
• A practically simple, catalyst free and scalable synthesis of <i>N</i>-substituted ureas in water
  作者：Lata Tiwari、Varun Kumar、Bhuvesh Kumar、Dinesh Mahajan

  DOI：10.1039/c8ra03761b

  日期：——

  A practically simple, mild and efficient method is developed for the synthesis of N-substituted ureas by nucleophilic addition of amines to potassium isocyanate in water without organic co-solvent. Using this methodology, a variety of N-substituted ureas (mono-, di- and cyclic-) were synthesized in good to excellent yields with high chemical purity by applying simple filtration or routine extraction

  开发了一种实用简单、温和且高效的方法，通过胺与异氰酸钾在水中的亲核加成合成N-取代脲，无需有机共溶剂。使用这种方法，通过应用简单的过滤或常规萃取程序避免硅胶纯化，以良好到优异的产率合成了各种N-取代脲（单、双和环），具有高化学纯度。还发现所开发的方法适用于具有大量商业应用的分子的克级合成。发现所确定的反应条件可以促进两种胺混合物的独特底物选择性。

表征谱图