(2S)-2-[[N'-[(4S)-4-氨基-5-羟基-5-氧代戊基]甲脒基]氨基]丁二酸 | 2387-71-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (2S)-2-[[N'-[(4S)-4-氨基-5-羟基-5-氧代戊基]甲脒基]氨基]丁二酸
• 英文名称: (2S)-2-[[amino-[[(4S)-4-amino-4-carboxybutyl]amino]methylidene]amino]butanedioic acid
• CAS: 2387-71-5
• 化学式: C₁₀H₁₈N₄O₆
• 分子量: 290.27
• InChiKey: KDZOASGQNOPSCU-WDSKDSINSA-N

物化性质

• 沸点：
  417.26°C (rough estimate)
• 密度：
  1.2800 (rough estimate)
• 物理描述：
  Solid
• 碰撞截面：
  163.9 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

计算性质

• 辛醇/水分配系数(LogP)：
  -4.7
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  188
• 氢给体数：
  6
• 氢受体数：
  8

ADMET

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  (2S)-2-[[N'-[(4S)-4-氨基-5-羟基-5-氧代戊基]甲脒基]氨基]丁二酸 在 arginino succinate lyase 作用下， 生成 L-精氨酸
  参考文献：
  名称：

  致癌 KRAS 诱导精氨酸营养缺陷并赋予非小细胞肺癌中 SLC7A1 抑制的治疗脆弱性

  摘要：

  癌细胞中的尿素循环经常被重新连接，以满足癌症的代谢需求。阐明致癌信号介导尿素循环重编程的潜在机制可能有助于识别可靶向的代谢脆弱性。在这项研究中，我们发现非小细胞肺癌 (NSCLC) 中 KRAS 的致癌激活使精氨基琥珀酸合酶 1 (ASS1) 的表达沉默，精氨基琥珀酸合酶 1 (ASS1) 是一种尿素循环酶，催化天冬氨酸和瓜氨酸产生精氨酸，从而转移利用天冬氨酸来合成嘧啶以满足DNA复制的高需求。具体来说，KRAS 信号传导以组蛋白脱乙酰酶 3 (HDAC3) 依赖性方式促进 ASS1 基因启动子区域的低乙酰化状态，这反过来又阻碍了 ASS1 转录的 c-MYC 的募集。 KRAS 突变 NSCLC 细胞中的 ASS1 抑制会损害精氨酸的生物合成，并依赖精氨酸跨膜转运蛋白 SLC7A1 来输入细胞外精氨酸。在患者来源的类器官和异种移植模型中，SLC7A1 的消耗抑制了 KRAS 驱动的 NSCLC

  DOI：

  10.1158/0008-5472.can-23-2095
• 作为产物：
  描述：

  L-天门冬氨酸 、 L-瓜氨酸 在 arginino succinate synthase 1 作用下， 生成 (2S)-2-[[N'-[(4S)-4-氨基-5-羟基-5-氧代戊基]甲脒基]氨基]丁二酸
  参考文献：
  名称：

  致癌 KRAS 诱导精氨酸营养缺陷并赋予非小细胞肺癌中 SLC7A1 抑制的治疗脆弱性

  摘要：

  癌细胞中的尿素循环经常被重新连接，以满足癌症的代谢需求。阐明致癌信号介导尿素循环重编程的潜在机制可能有助于识别可靶向的代谢脆弱性。在这项研究中，我们发现非小细胞肺癌 (NSCLC) 中 KRAS 的致癌激活使精氨基琥珀酸合酶 1 (ASS1) 的表达沉默，精氨基琥珀酸合酶 1 (ASS1) 是一种尿素循环酶，催化天冬氨酸和瓜氨酸产生精氨酸，从而转移利用天冬氨酸来合成嘧啶以满足DNA复制的高需求。具体来说，KRAS 信号传导以组蛋白脱乙酰酶 3 (HDAC3) 依赖性方式促进 ASS1 基因启动子区域的低乙酰化状态，这反过来又阻碍了 ASS1 转录的 c-MYC 的募集。 KRAS 突变 NSCLC 细胞中的 ASS1 抑制会损害精氨酸的生物合成，并依赖精氨酸跨膜转运蛋白 SLC7A1 来输入细胞外精氨酸。在患者来源的类器官和异种移植模型中，SLC7A1 的消耗抑制了 KRAS 驱动的 NSCLC

  DOI：

  10.1158/0008-5472.can-23-2095

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF UREA CYCLE DISORDERS AND HEPATIC DISEASES<br/>[FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT D'ANOMALIES DU CYCLE DE L'URÉE ET DE MALADIES HÉPATIQUES
  申请人：RAO M SURYA

  公开号：WO2017090007A1

  公开（公告）日：2017-06-01

  The compositions and compounds of formula I, formula II, formula III which includes a molecular conjugate with ornithine or its polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection administration. Such compositions may be used to the treatment of urea cycle disorders and hepatic diseases or its associated complications.

  公式I、公式II、公式III的组合物和化合物包括与鸟氨酸或其多态体、对映体、立体异构体、溶剂合物和水合物形成的分子共轭物。这些盐可以制成药物组合物。药物组合物可以制成口服、颊粘膜、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射给药的制剂。这些组合物可以用于治疗尿素循环紊乱和肝脏疾病或其相关并发症。
• Alpha-Isomaltosylglucosaccharide synthase, process for producing the same and use thereof
  申请人：——

  公开号：US20030194762A1

  公开（公告）日：2003-10-16

  The object of the present invention is to provide an &agr;-isomaltosylglucosaccharide-forming enzyme, process of the same, cyclotetrasaccharide, and saccharide composition comprising the saccharide which are obtainable by using the enzyme; and is solved by establishing an &agr;-isomaltosylglucosaccharide-forming enzyme which forms a saccharide, having a glucose polymerization degree of at least three and having both the &agr;-1,6 glucosidic linkage as a linkage at the non-reducing end and the &agr;-1,4 glucosidic linkage other than the linkage at the non-reducing end, by catalyzing the &agr;-glucosyl-transfer from a saccharide having a glucose polymerization degree of at least two and having the &agr;-1,4 glucosidic linkage as a linkage at the non-reducing end without substantially increasing the reducing power; &agr;-isomaltosyl-transferring method using the enzyme; method for forming &agr;-isomaltosylglucosaccharide; process for producing a cyclotetrasaccharide having the structure of cyclo{→6)-&agr;-D-glucopyranosyl-(1→3)-&agr;-D-glucopyranosyl-(1→6)-&agr;-D-glucopyranosyl-(1→3)-&agr;-D-glucopyranosyl-(1→} using both the &agr;-isomaltosylglucosaccharide-forming enzyme and the &agr;-isomaltosyl-transferring enzyme; and the uses of the saccharides obtainable therewith.

  本发明的目的是提供一种α-异麦芽糊精葡萄糖醛酸形成酶、其制备方法、环四糖和含有使用该酶可获得的糖分的糖组成物；并通过建立一种α-异麦芽糊精葡萄糖醛酸形成酶来解决该问题，该酶可形成一种葡萄糖聚合度至少为三且具有α-1,6葡萄糖苷键作为非还原端连接和α-1,4葡萄糖苷键作为非还原端连接以外的连接的糖分，通过催化具有至少二个葡萄糖聚合度且具有α-1,4葡萄糖苷键作为非还原端连接的糖分的α-葡萄糖基转移而形成，而不实质性地增加还原能力；使用该酶的α-异麦芽糊精转移方法；形成α-异麦芽糊精葡萄糖醛酸的方法；使用α-异麦芽糊精葡萄糖醛酸形成酶和α-异麦芽糊精转移酶同时制备具有环四糖结构的环四糖的方法；以及使用可获得的糖分的用途。
• INDUCED MALIGNANT STEM CELLS
  申请人：National Cancer Center

  公开号：US20140137274A1

  公开（公告）日：2014-05-15

  PROBLEM There are provided induced malignant stem cells capable of in vitro proliferation that are useful in cancer research and drug discovery for cancer therapy, as well as processes for production thereof, cancer cells derived from these cells, and applications of these cells. MEANS FOR SOLVING An induced malignant stem cell capable of in vitro proliferation are characterized by satisfying the following two requirements: (1) having at least one aberration selected from among (a) an aberration of methylation (high or low degree of methylation) in a tumor suppressor gene or a cancer-related genetic region in endogenous genomic DNA, (b) a somatic mutation of a tumor suppressor gene or a somatic mutation of an endogenous cancer-related gene in endogenous genomic DNA, (c) abnormal expression (increased or reduced/lost expression) of an endogenous oncogene or an endogenous tumor suppressor gene, (d) abnormal expression (increased or reduced/lost expression) of a noncoding RNA such as an endogenous cancer-related microRNA, (e) abnormal expression of an endogenous cancer-related protein, (f) an aberration of endogenous cancer-related metabolism (hypermetabolism or hypometabolism), (g) an aberration of endogenous cancer-related sugar chain, (h) an aberration of copy number variations in endogenous genomic DNA, and (i) instability of microsatellites in endogenous genomic DNA in an induced malignant stem cell; and (2) expressing genes including POU5F1 gene, NANOG gene, SOX2 gene, and ZFP42 gene.

  问题：提供了一种在体外增殖的诱导恶性干细胞，可用于癌症研究和癌症治疗药物发现，以及其生产过程，从这些细胞衍生的癌细胞和这些细胞的应用。 解决方法：一种在体外增殖的诱导恶性干细胞，其特征在于满足以下两个要求： （1）具有来自内源基因组DNA中肿瘤抑制基因或癌症相关遗传区的甲基化异常（高度或低度甲基化），内源基因组DNA中肿瘤抑制基因的体细胞突变或内源性癌症相关基因的体细胞突变，内源性癌基因或内源性肿瘤抑制基因的异常表达（增加或减少/丢失表达），内源性癌症相关microRNA等非编码RNA的异常表达，内源性癌症相关蛋白质的异常表达，内源性癌症相关代谢异常（高代谢或低代谢），内源性癌症相关糖链的异常，内源基因组DNA中拷贝数变异的异常，以及诱导恶性干细胞中微卫星的不稳定性；以及 （2）表达包括POU5F1基因、NANOG基因、SOX2基因和ZFP42基因在内的基因。
• DEVICE AND METHOD FOR SOLUBILIZING, SEPARATING, REMOVING AND REACTING CARBOXYLIC ACIDS IN OILS, FATS, AQUEOUS OR ORGANIC SOLUTIONS BY MEANS OF MICRO-OR NANOEMULSIFICATION
  申请人：Dietz Ulrich

  公开号：US20130090488A1

  公开（公告）日：2013-04-11

  The present invention is directed to solubilizing compounds, a device and a method for solubilizing and removing carboxylic acids and especially fatty acids from oils, fats, aqueous emulsion, aqueous media and organic solutions. Devices utilizing the inventive method shall be used for separating carboxylic acids from oils, fats, aqueous emulsion, lipophilic media or organic solutions, respectively by preparing an aqueous micro- or nanoemulsion of the carboxylic acids especially the fatty acids and the solubilizing compound which contains at least one amidino and/or gianidino group. Solubilization effects of solubilizing compounds combined with the inventive use of separation methods for carboxylic acids can be used to treat persons in need of removal of fatty acids or analyze carboxylic acids from blood or process other solutions in food, pharmacy, chemistry, bio fuel industry or other industrial processings.

  本发明涉及溶解化合物、用于从油、脂肪、水乳液、水介质和有机溶液中溶解和去除羧酸，特别是脂肪酸的装置和方法。采用本发明方法的装置将用于通过制备羧酸特别是脂肪酸和含有至少一种氨基甲酰基和/或肼基团的溶解化合物的水微观或纳米乳液，分离油、脂肪、水乳液、亲脂性介质或有机溶液中的羧酸。溶解化合物的溶解效果与本发明所述的羧酸分离方法相结合，可用于治疗需要去除脂肪酸或从血液中分析羧酸或处理食品、药品、化学、生物燃料工业或其他工业加工过程中的其他溶液的人员。
• WATER BASE INK SET FOR INK JET RECORDING
  申请人：SEIKO EPSON CORPORATION

  公开号：EP0911374A1

  公开（公告）日：1999-04-28

  An ink set is disclosed which comprises at least a black ink, a yellow ink, a magenta ink, and a cyan ink, each of the inks comprising at least a colorant, a water-soluble cationic polymer having a primary amino group in its molecule, and water, the colorant consisting of a coloring material(s) classified into categories of anthraquinone, indigoid, phthalocyanine, carbonium, quinoneimine, methine, quinoline, nitro, nitroso, benzoquinone, naphthoquinone, naphthalimide, and perinone coloring materials. This ink set can realize a full-color image having both good waterfastness and lightfastness. The coloring materials falling within the above categories, even when added, to the ink, in combination with a highly reactive polyallylamine having a primary amino group, can realize an image having good lightfastness while maintaining high waterfastness derived from the addition of the polyallylamine. Further, these colorants are not decomposed upon being attacked by the primary amino group of the polyallylamine and has excellent storage stability.

  本发明公开了一套墨水，它至少包括黑色墨水、黄色墨水、品红色墨水和青色墨水，每种墨水至少包括着色剂、分子中含有伯氨基的水溶性阳离子聚合物和水、着色剂包括蒽醌类、靛蓝类、酞菁类、羰基类、醌亚胺类、甲胺类、喹啉类、硝基类、亚硝基类、苯醌类、萘醌类、萘亚胺类和过醌类着色材料。这套油墨可实现具有良好耐水性和耐光性的全彩色图像。属于上述类别的着色剂即使添加到油墨中，与具有伯氨基的高活性聚烯烃胺结合使用，也能实现具有良好耐光性的图像，同时还能保持因添加聚烯烃胺而产生的高耐水性。此外，这些着色剂在受到聚烯丙基胺的伯氨基攻击时不会分解，并具有出色的储存稳定性。