4-Hydroxymethyl-benzamidine | 68382-17-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Hydroxymethyl-benzamidine
• 英文别名: 4-(Hydroxymethyl)benzamidine；4-(hydroxymethyl)benzenecarboximidamide
• CAS: 68382-17-2
• 化学式: C₈H₁₀N₂O
• 分子量: 150.18
• InChiKey: WHMKAFNJMLEDSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.1
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-3-(dimethylamino)-2-[(2S)-2-methylbutoxy]prop-2-enal 、 4-Hydroxymethyl-benzamidine 生成 [4-[5-[(2S)-2-methylbutoxy]pyrimidin-2-yl]phenyl]methanol
  参考文献：
  名称：

  SUEHNAGA, XITOSI;TAGUTI, MASAAKI;XARADA, TAKAMASA

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(羟甲基)苯甲腈 在 盐酸 、 氨 作用下， 以 甲醇 为溶剂， 生成 4-Hydroxymethyl-benzamidine
  参考文献：
  名称：

  Synthesis and structure-activity study of protease inhibitors. III. Amidinophenols and their benzoil esters.

  摘要：

  多种amidinophenol衍生物（27-47）及其苯甲酸酯（4-26）被合成并评估了它们对胰蛋白酶、纤溶酶、激肽释放酶、凝血酶、Clr和Cls的抑制活性，以及体外补体介导的溶血作用。4-（β-脒基乙烯基）苯基4-胍基苯甲酸酯（15）和4-脒基-2-苯甲酰苯基4-胍基苯甲酸酯（26）被发现具有强大的抑制活性，前者的IC50值为9×10-8M（胰蛋白酶）和2×10-7M（Cls），后者的IC50值为3×10-8M（胰蛋白酶）和2×10-7M（Cls）。

  DOI：

  10.1248/cpb.32.4466

文献信息

• Epoxysuccinamide derivatives
  申请人：NIPPON CHEMIPHAR CO., LTD.

  公开号：EP1342720A2

  公开（公告）日：2003-09-10

  Novel epoxysuccinamide derivatives represented by the general formula (1) or physiologically acceptable salts thereof, which are useful particularly as remedies for bone diseases and arthritis, wherein R1 and R3 are each hydrogen, alkyl, alkenyl, alkynyl, aryl, aralkyl, a heterocyclic group, or a heterocyclic-alkyl group; R2 is alkyl, alkenyl, alkynyl, aryl, aralkyl, a heterocyclic group, or a hetericyclic -alkyl group; X is -O- or -NR4- (wherein R4 is hydrogen, alkyl, aryl, aralkyl, a heterocyclic group, or a heterocyclic-alkyl group; Y1 is OR5, SR6, or NR7R8 (wherein each of R5, R6 and R7 is hydrogen, alkyl, aryl, aralkyl, acyl, a heterocyclic group, or a heterocyclic-alkyl group, and R8 is the same as defined for R4); and Y2 is hydrogen or alkyl, or alternatively Y1 and Y2 can be combined to form =O, =S, =N-R9, or =N-OR10 (wherein each of R9 and R10 is the same as defined for R4), provided that each of the alkyl, aryl and heterocyclic groups defined for R5 to R10 can have one or more specific substituents and that each of the group defined for R1 to R10 and Y2 is specificed in the number of carbon atoms.

  由通式(1)代表的新型环氧琥珀酰胺衍生物或其生理学上可接受的盐，特别可用作骨病和关节炎的治疗药物，其中 R1 和 R3 各为氢、烷基、烯基、炔基、芳基、芳烷基、杂环基团或杂环-烷基；R2 是烷基、烯基、炔基、芳基、芳烷基、杂环基团或杂环-烷基； X 是-O-或-NR4-（其中 R4 是氢、烷基、芳基、芳烷基、杂环基团或杂环-烷基；Y1 是 OR5、SR6 或 NR7R8（其中 R5、R6 和 R7 各自是氢、烷基、芳基、芳烷基、酰基、杂环基团或杂环-烷基基团，而 R8 与 R4 的定义相同）；和 Y2 是氢或烷基，或者 Y1 和 Y2 可以组合成 =O、=S、=N-R9 或 =N-OR10（其中 R9 和 R10 与 R4 所定义的相同），条件是 R5 至 R10 所定义的烷基、芳基和杂环基团可以有一个或多个特定取代基，并且 R1 至 R10 和 Y2 所定义的每个基团的碳原子数都是特定的。
• THERAPEUTIC OR PROPHYLACTIC AGENT FOR CEREBRAL ANEURYSM
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：EP2168600A1

  公开（公告）日：2010-03-31

  [Problems] To provide a medicament which is effective for treatment and prophylaxis of cerebral aneurysms [Means for solving the problems] The invention provides a medicament for treatment and prophylaxis of cerebral aneurysms, wherein the medicament contains a cysteine protease inhibitor as an active ingredient. The cysteine protease inhibitor preferably is an epoxysuccinamide derivative or its salt.

  [问题]提供一种对治疗和预防脑动脉瘤有效的药物 [解决问题的方法] 本发明提供了一种用于治疗和预防脑动脉瘤的药物，其中该药物含有一种半胱氨酸蛋白酶抑制剂作为活性成分。半胱氨酸蛋白酶抑制剂最好是环氧琥珀酰胺衍生物或其盐。
• REGULATOR FOR SIGNALING OF TOLL-LIKE RECEPTOR, WHICH COMPRISES CATHEPSIN INHIBITOR AS ACTIVE INGREDIENT
  申请人：National University Corporation Tokyo Medical and Dental University

  公开号：EP2216047A1

  公开（公告）日：2010-08-11

  [Problems] To provide a modulator for signaling of TLR [Means for solving the problems] A medicament containing cathepsin inhibitor such as monosodium (2S,3S)-3-[[(1S)-1-isobutoxymethyl-3-methylbutyl]carbamoyl]oxirane-2-carboxylate as a active ingredient is used as a modulator for signaling of TLR, a therapeutic agent for treating diseases associated with TLR signaling, a therapeutic agent for treating diseases associated,with induction of Th17 cells, a therapeutic agent for treating diseases associated with production of IL-6, IL-12, IL-17, or IL-23, or a therapeutic agent for treating systemic lupus erythematosus, lupus nephritis, crohn's disease, psoriasis, or acute disseminated encephalomyelitis.

  [问题] 提供一种 TLR 信号调节剂 [解决问题的方法] 一种含有(2S,3S)-3-[[(1S)-1-异丁氧基甲基-3-甲基丁基]氨基甲酰基]环氧乙烷-2-羧酸单钠盐等 cathepsin 抑制剂作为活性成分的药物可用作 TLR 信号调节剂、治疗与 TLR 信号相关疾病的治疗剂、治疗与诱导 Th17 细胞有关的疾病的治疗剂，治疗与 IL-6、IL-12、IL-17 或 IL-23 的产生有关的疾病的治疗剂，或治疗系统性红斑狼疮、狼疮肾炎、羊角风病、银屑病或急性播散性脑脊髓炎的治疗剂。
• Advanced drug development and manufacturing
  申请人：Los Alamos National Security, LLC

  公开号：EP2511844A2

  公开（公告）日：2012-10-17

  There is described an apparatus for measuring protein characteristics comprising an X-ray fluorescence (XRF) spectrometer comprising a source of polychromatic X-rays, an X-ray detector, a protein, a molecule that has been exposed to and at least weakly binds to the protein, a plurality of X-ray fluorescence signal data obtained by irradiating chemical elements in the protein and molecule with the polychromatic X-rays and a security system for maintaining records for the data from the plurality of X-ray fluorescence signal measurements. There is also described an x-ray microscope for measuring a sample.

  描述了一种测量蛋白质特性的仪器，该仪器包括一个 X 射线荧光 (XRF) 光谱仪，其中包括一个多色 X 射线源、一个 X 射线探测器、一个蛋白质、一个已暴露于该蛋白质并至少与该蛋白质弱结合的分子、通过用多色 X 射线照射蛋白质和分子中的化学元素而获得的多个 X 射线荧光信号数据，以及一个用于维护多个 X 射线荧光信号测量数据记录的安全系统。此外，还介绍了一种用于测量样品的 X 射线显微镜。
• Compositions comprising enzyme-cleavable ketone-modified opioid prodrugs and optional inhibitors thereof
  申请人：Signature Therapeutics, Inc.

  公开号：US10028945B2

  公开（公告）日：2018-07-24

  A method of providing a patient with controlled release of ketone-containing opioid using a prodrug capable, upon enzymatic activation and intramolecular cyclization, of releasing the ketone-containing opioid is disclosed. The disclosure also provides such prodrug compounds and pharmaceutical compositions comprising such compounds. Such pharmaceutical compositions can optionally include an enzyme inhibitor that interacts with the enzyme(s) to mediate the enzymatically-controlled release of the ketone-containing opioid from the prodrug so as to modify enzymatic cleavage of the prodrug. Also included are methods to use such compounds and pharmaceutical compositions.

  本发明公开了一种使用原药的方法，这种原药能够在酶活化和分子内环化后释放含酮阿片类药物，为患者提供控释含酮阿片类药物。本公开还提供了此类原药化合物和包含此类化合物的药物组合物。此类药物组合物可选择性地包括一种酶抑制剂，该酶抑制剂与酶相互作用，介导含酮阿片类药物从原药中的酶控释放，从而改变原药的酶裂解。此外，还包括使用此类化合物和药物组合物的方法。