D-氨甲碟呤水合物 | 6745-93-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 中文名称: D-氨甲碟呤水合物
• 英文名称: MTX hydrate
• 英文别名: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate
• CAS: 6745-93-3
• 化学式: C₂₀H₂₂N₈O₅*H₂O
• 分子量: 472.461
• InChiKey: FPJYMUQSRFJSEW-ZOWNYOTGSA-N

物化性质

• 熔点：
  195 °C (dec.)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.56
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  212
• 氢给体数：
  6
• 氢受体数：
  13

安全信息

• 安全说明：
  S22,S26,S36/37/39,S45,S53
• 危险类别码：
  R46,R60,R61,R25,R36/37/38

反应信息

• 作为反应物：
  描述：

  D-氨甲碟呤水合物 生成 甲氨蝶呤
  参考文献：
  名称：

  US2022/288080

  摘要：

  公开号：

文献信息

• [EN] COMPOSITIONS AND METHODS FOR CAPTURE OF CELLULAR TARGETS OF BIOACTIVE AGENTS<br/>[FR] COMPOSITIONS ET PROCÉDÉS DE CAPTURE DE CIBLES CELLULAIRES D'AGENTS BIOACTIFS
  申请人：PROMEGA CORP

  公开号：WO2014093671A1

  公开（公告）日：2014-06-19

  The present invention provides compositions and methods for capture and identification of the cellular targets of a bioactive agent. In particular, provided herein are bioactive agents tethered to capture ligand, cellular targets (optionally tagged with a reporter), capture proteins (optionally present as capture fusions), surfaces (e.g., displaying, capture ligands, capture proteins, or capture fusions), and methods of capturing and identifying the cellular targets of a bioactive agent therewith.

  本发明提供了一种用于捕获和识别生物活性剂的细胞靶标的组合物和方法。具体来说，本文提供了与捕获配体、细胞靶标（可选择性地标记有报告物）、捕获蛋白（可选择性地作为捕获融合物存在）、表面（例如，显示捕获配体、捕获蛋白或捕获融合物）以及用于捕获和识别生物活性剂的细胞靶标的方法。
• [EN] POLYMERIC HYPERBRANCHED CARRIER-LINKED PRODRUGS<br/>[FR] PROMÉDICAMENTS LIÉS À DES EXCIPIENTS POLYMÉRIQUES HYPERBRANCHÉS
  申请人：ASCENDIS PHARMA AS

  公开号：WO2013024048A1

  公开（公告）日：2013-02-21

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I),wherein POL is a polymeric moiety,each Hyp is independently a hyperbranched moiety,each moiety SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, m is 0 or 1, each n is independently an integer from 2 to 200 and each x is independently 0 or 1. It further relates to pharmaceutical compositions comprising said water- soluble carrier-linked prodrugs and methods of treatment.

  本发明涉及水溶性载体连接的前药，其化学式为（I），其中POL是聚合物基团，每个Hyp是独立的超支化基团，每个基团SP是独立的间隔基团，每个L是独立的可逆前药连接基团，m为0或1，每个n是独立的整数，范围从2到200，每个x是独立的0或1。此外，还涉及包含所述水溶性载体连接的前药的药物组合物和治疗方法。
• [EN] HIGH-LOADING WATER-SOLUBLE CARRIER-LINKED PRODRUGS<br/>[FR] PROMÉDICAMENTS LIÉS À DES EXCIPIENTS HYDROSOLUBLES DE FORTE CHARGE
  申请人：ASCENDIS PHARMA AS

  公开号：WO2013024047A1

  公开（公告）日：2013-02-21

  The present invention relates to water-soluble carrier-linked prodrugs of formula (I), wherein B, A and Hyp form the carrier, B is a branching core, each A is independently a poly(ethylene glycol)-based polymeric chain, each Hyp is independently a branched moiety, each SP is independently a spacer moiety, each L is independently a reversible prodrug linker moiety, each D is independendly a biologically active moiety, each x is independently 0 or 1, each m is independently an integer of from 2 to 64, n is an integer from 3 to 32; or the pharmaceutically acceptable salt thereof. It further relates to pharmaceutical compositions comprising said water-soluble carrier-linked prodrugs, their use asmedicament or diagnostic, and methods of treatment.

  本发明涉及水溶性载体连接的前药，其化学式为(I)，其中B、A和Hyp形成载体，B是一个分支核心，每个A独立地是一条聚乙二醇基聚合链，每个Hyp独立地是一个分支基团，每个SP独立地是一个间隔基团，每个L独立地是一个可逆前药连接基团，每个D独立地是一个生物活性基团，每个x独立地为0或1，每个m独立地是从2到64的整数，n是从3到32的整数；或其药学上可接受的盐。进一步涉及包括所述水溶性载体连接的前药的药物组合物，其用作药物或诊断，以及治疗方法。
• [EN] METHOD AND KIT FOR ISOTOPE-LABELLING OF A FOLATE-CONTAINING BIOLOGICAL SAMPLE FOR MASS SPECTROMETRY<br/>[FR] PROCÉDÉ ET KIT DE MARQUAGE ISOTOPIQUE D'UN ÉCHANTILLON BIOLOGIQUE CONTENANT DU FOLATE POUR SPECTROMÉTRIE DE MASSE
  申请人：UNIV GRAZ MEDIZINISCHE

  公开号：WO2019161963A1

  公开（公告）日：2019-08-29

  The present invention provides a method of stabilising a biological sample comprising at least two folate species. The method comprises providing the biological sample and contacting the folate species with a reducing agent and an aliphatic aldehyde or ketone under conditions which allow reductive alkylation of at least one of the folate species, wherein the reducing agent is a deuterated reducing agent, such as formaldehyde-13C, D2, and the aliphatic aldehyde or ketone is a deuterated aliphatic aldehyde or ketone, such as cyanoborodeuteride, whereby at least one stabilised folate species isotopically labelled with D is obtained. Also provided is a biological sample containing at least one stabilised folate species selected from the group consisting of compounds I-VIII, as well as a mass-spectrometric method for quantifying folate species in the biological sample and a kit for stabilising a biological sample comprising at least two folate species for mass spectrometric analysis.

  本发明提供了一种稳定含至少两种叶酸物种的生物样品的方法。该方法包括提供生物样品并将叶酸物种与还原剂和脂肪族醛或酮接触，在允许至少一种叶酸物种还原烷基化的条件下，其中还原剂是氘代还原剂，如甲醛-13C，D2，而脂肪族醛或酮是氘代脂肪族醛或酮，如氰硼氘代物，从而获得至少一种标记有D同位素的稳定叶酸物种。还提供了一种包含从化合物I-VIII中选择的至少一种稳定叶酸物种的生物样品，以及一种用于定量生物样品中叶酸物种的质谱分析的方法和一种用于稳定含至少两种叶酸物种的生物样品进行质谱分析的试剂盒。
• [EN] RELEASABLE CONJUGATES<br/>[FR] CONJUGUÉS LIBÉRABLES
  申请人：QUIAPEG PHARMACEUTICALS AB

  公开号：WO2018163131A1

  公开（公告）日：2018-09-13

  The present application provides compounds of Formula (B), or pharmaceutically acceptable salts thereof, wherein D is a residue of a biologically active drug, which underdo hydrolysis under physiological conditions to release the biologically active drug and which are useful in the treatment of disorders that could be beneficially treated with the drug.

  本申请提供了化合物的公式（B），或其药用盐，其中D是生物活性药物的残留物，在生理条件下经过水解释放出生物活性药物，并且对可能受益于该药物治疗的疾病具有用处。