3,5-二氨甲基苯甲酸 | 105995-43-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 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: 3,5-二氨甲基苯甲酸
• 中文别名: 3,5-双氨基甲基苯甲酸
• 英文名称: 3,5-bis(aminomethyl)benzoic acid
• 英文别名: 3,5-bis-aminomethyl-benzoic acid
• CAS: 105995-43-5
• 化学式: C₉H₁₂N₂O₂
• mdl: MFCD07367233
• 分子量: 180.206
• InChiKey: VDPOXFVWUYMSLQ-UHFFFAOYSA-N

物化性质

• 沸点：
  401.9±45.0 °C(Predicted)
• 密度：
  1.269±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  89.3
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  5-carboxyfluorescein N-hydroxysuccinimide ester 、 3,5-二氨甲基苯甲酸 生成
  参考文献：
  名称：

  Amplified fluorescent molecular probes based on 1,3,5,7-tetrasubstituted adamantane

  摘要：

  A novel series of fluorescent labels containing multiple fluorescein moieties attached to a bridgehead-substituted adamantane has been synthesized. Molecules containing two, three or four fluorescein residues were prepared and their fluorescence was measured. The rigid adamantane core prevents fluorescein moieties from intramolecular collisions, thus precluding mutual fluorescence quenching. proposed design allows building the molecular probes with amplified fluorescence signal by combining several fluorophores in a molecule. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02280-1
• 作为产物：
  描述：

  3,5-二甲基苯甲酸甲酯 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 sodium azide 、 三苯基膦 、 过氧化苯甲酰 作用下， 生成 3,5-二氨甲基苯甲酸
  参考文献：
  名称：

  谷胱甘肽S-转移酶的二价抑制剂：间隔长度对同工酶选择性的影响。

  摘要：

  谷胱甘肽 S 转移酶 (GST) 是一种胞质酶，可催化谷胱甘肽与多种外源性和内源性亲电子试剂的结合。GST 的高亲和力、同工酶特异性抑制剂需要用作药理学工具和潜在的治疗剂。由于 GST 酶的广泛底物结合能力，选择性抑制剂的设计受到阻碍。GST 是二聚酶，因此为实现抑制剂选择性提供了独特的鉴别器：每个单体单元上结合位点之间的距离作为其四元组织的函数。制备了非选择性 GST 抑制剂 ethacrynic 酸的二价类似物，对 GST A1-1 同工酶的选择性超过 GST P1-1（IC50 值为 13.7 对 1022 nM，

  DOI：

  10.1016/j.bmcl.2006.04.041

文献信息

• [EN] OXADIAZOLE LINKERS AND USE THEREOF<br/>[FR] LIEURS D'OXADIAZOLE ET UTILISATION ASSOCIÉE
  申请人：NEWBIO THERAPEUTICS INC

  公开号：WO2019011078A1

  公开（公告）日：2019-01-17

  Provided is oxadiazole linkers and use thereof, more specifically to the compounds represented by formulas (I), (II), and (III), and their use in the preparation of antibody-drug conjugates (ADCs). The ADCs obtained from said oxadiazole linkers have high homogeneity and stability, and could be used effectively for the treatment of various diseases including tumors. The definition of the groups in formula (I), (II), and (III) is the same as that in the description.

  提供了噁二唑醚键合物及其使用，更具体地是指由化学式（I）、（II）和（III）所代表的化合物，以及它们在制备抗体药物偶联物（ADCs）中的应用。从这些噁二唑醚键合物获得的ADCs具有高均一性和稳定性，并且可以有效用于治疗包括肿瘤在内的各种疾病。化学式（I）、（II）和（III）中的基团定义与描述中的相同。
• Conjugate comprising a neurotensin receptor ligand
  申请人：3B Pharmaceuticals GmbH

  公开号：EP2954933A1

  公开（公告）日：2015-12-16

  The present invention is related to a conjugate comprising a structure of general formula (I)         [TM1] - [AD1] - [LM] - [AD2] - [TM2]     (I), wherein TM1 is a first targeting moiety, wherein the first targeting moiety is capable of binding to a first target, AD1 is a first adapter moiety or is absent, LM is a linker moiety or is absent, AD2 is a second adapter moiety or is absent, and TM2 is a second targeting moiety, wherein the second targeting moiety is capable of binding to a second target; wherein the first targeting moiety and/or the second targeting moiety is a compound of formula (II): wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the following formula (III) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is a bond; or a pharmacologically acceptable salt, solvate or hydrate thereof.

  本发明涉及一种包含一般式（I）结构的结合物，其中TM1是第一靶向基团，第一靶向基团能够结合到第一个靶标，AD1是第一适配基团或者不存在，LM是连接基团或者不存在，AD2是第二适配基团或者不存在，TM2是第二靶向基团，第二靶向基团能够结合到第二个靶标；其中第一靶向基团和/或第二靶向基团是式（II）化合物之一：其中R1选自氢、甲基和环丙基甲基组成的群；AA-COOH是选自2-氨基-2-环戊烷羧酸、环己基甘氨酸和9-氨基-双环[3.3.1]壬烷-9-羧酸组成的氨基酸；R2选自（C1-C6）烷基、（C3-C8）环烷基、（C3-C8）环烷基甲基、卤素、硝基和三氟甲基的群；ALK是（C2-C5）烷基亚基；R3、R4和R5各自独立地选自氢和（C1-C4）烷基，但是在R3、R4和R5中的一个符合以下式（III）：其中ALK'是（C2-C5）烷基亚基；R6选自氢和（C1-C4）烷基；R7是键；或其药理学上可接受的盐、溶剂或水合物。
• SCAFFOLD-BASED POLYMERASE ENZYME SUBSTRATES
  申请人：Shen Gene

  公开号：US20120077189A1

  公开（公告）日：2012-03-29

  The invention provides a novel class of scaffold-based labeled polymerase enzyme substrates. The polymerase enzyme substrates have a multivalent core or scaffold to which is attached fluorescent dye moieties and nucleoside phosphate moities. The polymerase enzyme substrates have multiple fluorescent dye moities and/or multiple nucleoside phosphate moieties. Preferred multivalent cores comprise trifunctional six membered aromatic moities. The invention also provides for sequencing methods and kits with scaffold-based labeled polymerase enzyme substrates.

  本发明提供了一种新型的基于支架的标记聚合酶酶底物。聚合酶酶底物具有多价核心或支架，附着有荧光染料基团和核苷酸磷酸基团。聚合酶酶底物具有多个荧光染料基团和/或多个核苷酸磷酸基团。优选的多价核心包括三官能团六元芳香基团。本发明还提供了基于支架的标记聚合酶酶底物的测序方法和试剂盒。
• Disubstituted aromatic dianhydrides and polyimides prepared therefrom
  申请人：CIBA-GEIGY AG

  公开号：EP0438382A1

  公开（公告）日：1991-07-24

  Aromatic dianhydrides being substituted in the positions ortho to the bridging moiety, said substituent groups including halogen, alkyl, hydroxy, nitro, cyano, ester, alkoxy, perfluoroalkyl, mercapto and thioester groups, said dianhydrides providing certain beneficial properties to polyimides prepared therefrom.

  芳香族二酐在桥基的正交位置被取代，所述取代基团包括卤素、烷基、羟基、硝基、氰基、酯基、烷氧基、全氟烷基、巯基和硫酯基团，所述二酐可为由此制备的聚酰亚胺提供某些有益特性。
• Conjugate comprising a neurotensin receptor ligand and use thereof
  申请人：3B Pharmaceuticals GmbH

  公开号：EP2954934A1

  公开（公告）日：2015-12-16

  The present invention is related to a conjugate comprising a structure of general formula (1)         [TM1] - [AD1] - [LM] - [AD2] - [TM2]     (1), wherein TM1 is a first targeting moiety, wherein the first targeting moiety is capable of binding to a first target, AD1 is a first adapter moiety or is absent, LM is a linker moiety or is absent, AD2 is a second adapter moiety or is absent, and TM2 is a second targeting moiety, wherein the second targeting moiety is capable of binding to a second target; wherein the first targeting moiety and/or the second targeting moiety is a compound of formula (2): wherein R1 is selected from the group consisting of hydrogen, methyl and cyclopropylmethyl; AA-COOH is an amino acid selected from the group consisting of 2-amino-2-adamantane carboxylic acid, cyclohexylglycine and 9-amino-bicyclo[3.3.1]nonane-9-carboxylic acid; R2 is selected from the group consisting of (C1-C6)alkyl, (C3-C8)cycloalkyl, (C3C8)cycloalkylmethyl, halogen, nitro and trifluoromethyl; ALK is (C2-C5)alkylidene; R3, R4 and R5 are each and independently selected from the group consisting of hydrogen and (C1-C4)alkyl under the proviso that one of R3, R4 and R5 is of the following formula (3) wherein ALK' is (C2-C5)alkylidene; R6 is selected from the group consisting of hydrogen and (C1-C4)alkyl; and R7 is a bond; or a pharmacologically acceptable salt, solvate or hydrate thereof.

  本发明涉及一种包含通式（1）结构的共轭物 [TM1] - [AD1] - [LM] - [AD2] - [TM2] (1)、 其中 TM1 是第一靶向分子，其中第一靶向分子能够与第一靶点结合、 AD1 是第一适配基团或不存在、 LM 是连接分子或不存在、 AD2 是第二适配基团或不存在，以及 TM2 是第二靶向分子，其中第二靶向分子能与第二靶点结合； 其中第一靶向分子和/或第二靶向分子为式（2）化合物： 其中 R1 选自由氢、甲基和环丙基甲基组成的组； AA-COOH 是一种氨基酸，选自由 2-氨基-2-金刚烷羧酸、环己基甘氨酸和 9-氨基-双环[3.3.1]壬烷-9-羧酸组成的组； R2 选自(C1-C6)烷基、(C3-C8)环烷基、(C3C8)环烷基甲基、卤素、硝基和三氟甲基组成的组； ALK 是（C2-C5）亚烷基； R3、R4 和 R5 各自独立地选自氢和(C1-C4)烷基组成的组，但 R3、R4 和 R5 中的一个必须符合下式 (3) 其中 ALK' 是 (C2-C5) 亚烷基； R6 选自氢和（C1-C4）烷基组成的组；以及 R7 是键； 或其药理学上可接受的盐、溶液或水合物。