2,2'-(2-((2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)-(carboxymethyl)amino)cyclohexylazanediyl)diacetic acid | 142434-85-3

• 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
• 英文名称: 2,2'-(2-((2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)-(carboxymethyl)amino)cyclohexylazanediyl)diacetic acid
• 英文别名: Glycine, N-((1R,2R)-2-(bis(carboxymethyl)amino)cyclohexyl)-N-((2R)-2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)-, rel-；2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-[2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
• CAS: 142434-85-3
• 化学式: C₂₆H₃₄N₄O₁₀S
• 分子量: 594.643
• InChiKey: QZVREUUCWLULJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.8
• 重原子数：
  41
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  241
• 氢给体数：
  5
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  4-(2-氨乙基)苯磺酰胺 、 2,2'-(2-((2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)-(carboxymethyl)amino)cyclohexylazanediyl)diacetic acid 在 sodium carbonate 作用下， 以 水 为溶剂， 反应 18.0h， 生成 2,2'-((2-((2-(bis(carboxymethyl)amino)-3-(4-(3-(4-sulfamoylphenethyl)thioureido)phenyl)propyl)(carboxymethyl)amino)cyclohexyl)azanediyl)diacetic acid
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL AS CARBONIC ANHYDRASE MODULATORS AND USES THEREOF
  [FR] COMPOSÉS UTILES EN TANT QUE MODULATEURS DE L'ANHYDRASE CARBONIQUE ET LEURS UTILISATIONS

  摘要：

  揭示了具有以下化学式（I'）的化合物：其中A、W、Cy1、Cy2、L1、L2、R1和R2如本文所定义。这些化合物及其制剂可用作探针和成像剂，用于识别缺氧肿瘤，并用于治疗包括缺氧肿瘤在内的多种疾病，包括哺乳动物，包括人类等，例如但不限于此。

  公开号：

  WO2010147666A1

文献信息

• Porphyrin derivatives, methods for obtaining same, and use thereof in radioimmunotherapy
  申请人：Boitrel Phillippe Albert Bernard

  公开号：US20070036714A1

  公开（公告）日：2007-02-15

  The invention concerns compounds of general formula (I), wherein: when A forms a chain with C, called A-C chain, of formula (1): —X—Y—C6H4-(CH2)n1-C(Z,W)—(CH2)n2-C6H4-Y—X—, then B forms a chain with D, the chain of above formula (1), called A-C and B-D chains located independently of each other, above (position alpha ) or below (position beta ) of the porphyrin macrocycle; or when A forms a chain with D, called A-D chain of above formula (1), then B forms a chain with C, called B-C chain of above formula (1), one of the A-D or B-C chains, being located above (position alpha) of the plane of the porphyrin macrocycle while the other A-D or B-C chain is located below (position beta )) of the porphyrin macrocycle. The invention also concerns complexes between the compounds and radioelements, and pharmaceutical compositions containing the complexes.

  该发明涉及一般式（I）的化合物，其中：当A与C形成链，称为A-C链，化学式如下（1）：—X—Y—C6H4-(CH2)n1-C(Z,W)—(CH2)n2-C6H4-Y—X—，则B与D形成链，上述化学式（1）的链，称为独立放置的A-C和B-D链，位置分别在卟啉大环的上方（位置α）或下方（位置β）；或当A与D形成链，称为上述化学式（1）的A-D链，那么B与C形成链，称为上述化学式（1）的B-C链，其中A-D或B-C链之一位于卟啉大环平面的上方（位置α），而另一个A-D或B-C链位于卟啉大环平面下方（位置β）。该发明还涉及化合物与放射元素之间的络合物，以及含有这些络合物的药物组合物。
• NOVEL ANTI-HUMAN MUC1 ANTIBODY Fab FRAGMENT
  申请人：Astellas Pharma Inc.

  公开号：EP3543337A1

  公开（公告）日：2019-09-25

  The problem to be solved is to provide an anti-human MUC1 antibody Fab fragment that is expected to be useful in the diagnosis and/or treatment of a cancer, particularly, the diagnosis and/or treatment of breast cancer or bladder cancer, and a diagnosis approach and/or a treatment approach using a conjugate comprising the Fab fragment. The solution is an anti-human MUC1 antibody Fab fragment comprising a heavy chain fragment comprising a heavy chain variable region consisting of the amino acid sequence represented by SEQ ID NO: 8 or 10, and a light chain comprising a light chain variable region consisting of the amino acid sequence represented by SEQ ID NO: 12, and a conjugate comprising the Fab fragment.

  要解决的问题是提供一种抗人MUC1抗体Fab片段，该片段有望用于诊断和/或治疗癌症，特别是诊断和/或治疗乳腺癌或膀胱癌，以及使用包含该Fab片段的共轭物的诊断方法和/或治疗方法。本发明的解决方案是一种抗人MUC1抗体Fab片段，该抗体Fab片段包含一个重链片段，该重链片段包含由SEQ ID NO: 8或10所代表的氨基酸序列组成的重链可变区，和一个轻链片段，该轻链片段包含由SEQ ID NO: 12所代表的氨基酸序列组成的轻链可变区，以及一种包含该Fab片段的共轭物。
• NOVEL ANTI-HUMAN CEACAM5 ANTIBODY FAB FRAGMENT
  申请人：Astellas Pharma Inc.

  公开号：EP3650470A1

  公开（公告）日：2020-05-13

  Provided are an anti-human CEACAM5 antibody Fab fragment expected to be useful in the diagnosis of a cancer, particularly, the diagnosis of colorectal cancer, breast cancer, lung cancer, thyroid gland cancer or a cancer resulting from the metastasis thereof, and a diagnosis approach using a conjugate comprising the Fab fragment. The present invention provides an anti-human CEACAM5 antibody Fab fragment comprising a heavy chain fragment comprising a heavy chain variable region consisting of the amino acid sequence represented by amino acid positions 1 to 121 of SEQ ID NO: 2, and a light chain comprising a light chain variable region consisting of the amino acid sequence represented by amino acid positions 1 to 112 of SEQ ID NO: 4, and a conjugate comprising the Fab fragment.

  本发明提供了一种抗人CEACAM5抗体Fab片段，该片段有望用于癌症诊断，特别是结直肠癌、乳腺癌、肺癌、甲状腺癌或由其转移导致的癌症的诊断，以及使用包含该Fab片段的共轭物的诊断方法。本发明提供了一种抗人CEACAM5抗体Fab片段，该抗体Fab片段包括由SEQ ID NO: 2的氨基酸位置1至121所代表的氨基酸序列组成的重链可变区的重链片段和由SEQ ID NO: 4的氨基酸位置1至112所代表的氨基酸序列组成的轻链可变区的轻链，以及包含该Fab片段的共轭物。
• PHARMACEUTICAL COMPOSITION CONTAINING TAGGED SITE-ANTIHUMAN ANTIBODY FAB FRAGMENT COMPLEX
  申请人：Astellas Pharma Inc.

  公开号：EP3865154A1

  公开（公告）日：2021-08-18

  Provided is a stable pharmaceutical composition comprising a labeling moiety-anti-human antibody Fab fragment conjugate, and the like. In the pharmaceutical composition comprising a labeling moiety-anti-human antibody Fab fragment conjugate, citric acid, phosphoric acid, 2-[4-(2-hydroxyethyl)-1-piperazinyl]ethanesulfonic acid or trishydroxymethyl aminomethane is added as a buffering agent, sucrose or glycerin is added as a stabilizer, a nonionic surfactant is added, and the pH is adjusted to 6.5 to 7.5. This enables suppression of generation of multimers and insoluble subvisible particles during preservation of the labeling moiety-anti-human antibody Fab fragment conjugate.

  本发明提供了一种稳定的药物组合物，该组合物由标记物-抗人类抗体 Fab 片段共轭物等组成。在由标记物-抗人抗体 Fab 片段共轭物组成的药物组合物中，添加柠檬酸、磷酸、2-[4-（2-羟乙基）-1-哌嗪基]乙磺酸或三羟甲基氨基甲烷作为缓冲剂，添加蔗糖或甘油作为稳定剂，添加非离子表面活性剂，并将 pH 值调整为 6.5 至 7.5。这样就能在保存标记莫伊耶-抗人类抗体 Fab 片段共轭物的过程中抑制多聚体和不溶性亚可见颗粒的产生。
• Anti-human MUC1 antibody fab fragment
  申请人：Astellas Pharma Inc.

  公开号：US10507251B2

  公开（公告）日：2019-12-17

  The problem to be solved is to provide an anti-human MUC1 antibody Fab fragment that is expected to be useful in the diagnosis and/or treatment of a cancer, particularly, the diagnosis and/or treatment of breast cancer or bladder cancer, and a diagnosis approach and/or a treatment approach using a conjugate comprising the Fab fragment. The solution is an anti-human MUC1 antibody Fab fragment comprising a heavy chain fragment comprising a heavy chain variable region consisting of the amino acid sequence represented by SEQ ID NO: 8 or 10, and a light chain comprising a light chain variable region consisting of the amino acid sequence represented by SEQ ID NO: 12, and a conjugate comprising the Fab fragment.

  要解决的问题是提供一种抗人MUC1抗体Fab片段，该片段有望用于诊断和/或治疗癌症，特别是诊断和/或治疗乳腺癌或膀胱癌，以及使用包含该Fab片段的共轭物的诊断方法和/或治疗方法。本发明的解决方案是一种抗人MUC1抗体Fab片段，该抗体Fab片段包含一个重链片段，该重链片段包含由SEQ ID NO: 8或10所代表的氨基酸序列组成的重链可变区，和一个轻链片段，该轻链片段包含由SEQ ID NO: 12所代表的氨基酸序列组成的轻链可变区，以及一种包含该Fab片段的共轭物。