m-Iod-benzol-sulfonsaeure | 50702-37-9

• 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: m-Iod-benzol-sulfonsaeure
• 英文别名: 3-Iodbenzolsulfonsaeure；3-iodo-benzenesulfonic acid；3-Jod-benzolsulfonsaeure；3-iodobenzenesulfonic Acid
• CAS: 50702-37-9
• 化学式: C₆H₅IO₃S
• mdl: MFCD09788595
• 分子量: 284.074
• InChiKey: BNQPGPMRORGVHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  m-Iod-benzol-sulfonsaeure 在 草酰氯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 以86%的产率得到3-碘苯磺酰氯
  参考文献：
  名称：

  2-炔基甘露糖衍生物及其应用

  摘要：

  本发明涉及2‑炔基甘露糖衍生物及其应用。该甘露糖衍生物及其药学上可接受的盐、同位素和异构体，具有通式I所示的结构：用于治疗或预防细菌感染。本发明还提供包含上述化合物的药学上可以接受的组合物及其在治疗或预防细菌感染上的应用。

  公开号：

  CN113461753B
• 作为产物：
  描述：

  3-氨基苯磺酸 在 盐酸 、 Ki 、 sodium nitrite 作用下， 以 水 为溶剂， 以31%的产率得到m-Iod-benzol-sulfonsaeure
  参考文献：
  名称：

  Heteroaryl protease inhibitors and diagnostic imaging agents

  摘要：

  描述了Ketothiazole alkoxyguanidine和氨基胍类似物，包括公式I中的化合物：其中X为O或NR9，Het，A，R1，R7，R8，R12，R13，Ra，Rb，Rc，Z，m和n在说明书中列出，以及其水合物、溶剂合物或药用可接受的盐，可以抑制蛋白酶酶，如凝血酶。还描述了制备这种化合物的方法。该发明的化合物是蛋白酶的强效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如胰蛋白酶、凝血酶、纤溶酶和Xa因子。其中某些化合物通过直接、选择性地抑制凝血酶表现出抗血栓活性。该发明包括一种用于在哺乳动物中抑制血小板丢失、抑制血小板聚集、抑制纤维蛋白形成、抑制血栓形成和抑制栓塞形成的组合物，其中包括一种在药用可接受的载体中的该发明化合物。该发明的化合物的其他用途是作为抗凝剂，嵌入或物理连接到用于制造用于血液收集、血液循环和血液储存的设备中的材料中，例如导管、血液透析机、血液收集注射器和管道、血液管路和支架。此外，这些化合物可以被可检测地标记并用于体内血栓的成像。

  公开号：

  US06420397B1

文献信息

• Heteroaryl protease inhibitors and diagnostic imaging agents
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06420397B1

  公开（公告）日：2002-07-16

  Ketothiazole alkoxyguanidine and aminoguanidine analogs are described, including compounds of the Formula I: wherein X is O or NR9 and Het, A, R1, R7, R8, R12, R13, Ra, Rb, Rc, Z, m and n are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof, that inhibit proteolytic enzymes such as thrombin. Also described are methods for preparing such compounds. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, thrombin, plasmin and factor Xa. Certain of the compounds exhibit antithrombotic activity via direct, selective inhibition of thrombin. The invention includes a composition for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation in a mammal, comprising a compound of the invention in a pharmaceutically acceptable carrier. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  描述了Ketothiazole alkoxyguanidine和氨基胍类似物，包括公式I中的化合物：其中X为O或NR9，Het，A，R1，R7，R8，R12，R13，Ra，Rb，Rc，Z，m和n在说明书中列出，以及其水合物、溶剂合物或药用可接受的盐，可以抑制蛋白酶酶，如凝血酶。还描述了制备这种化合物的方法。该发明的化合物是蛋白酶的强效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如胰蛋白酶、凝血酶、纤溶酶和Xa因子。其中某些化合物通过直接、选择性地抑制凝血酶表现出抗血栓活性。该发明包括一种用于在哺乳动物中抑制血小板丢失、抑制血小板聚集、抑制纤维蛋白形成、抑制血栓形成和抑制栓塞形成的组合物，其中包括一种在药用可接受的载体中的该发明化合物。该发明的化合物的其他用途是作为抗凝剂，嵌入或物理连接到用于制造用于血液收集、血液循环和血液储存的设备中的材料中，例如导管、血液透析机、血液收集注射器和管道、血液管路和支架。此外，这些化合物可以被可检测地标记并用于体内血栓的成像。
• [EN] HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS<br/>[FR] INHIBITEURS DE PROTEASE HETEROARYLE ET AGENTS D'IMAGERIE DIAGNOSTIQUE
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2001004117A1

  公开（公告）日：2001-01-18

  Ketothiazole alkoxyguanidine and aminoguanidine analogs are described, including compounds of formula (I) wherein X is O or NR9 and Het, A, R?1, R7, R8, R12, R13, Ra, Rb, Rc¿, Z, m and n are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof, that inhibit proteolytic enzymes such as thrombin. Also described are methods for preparing such compounds. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, thrombin, plasmin and factor Xa. Certain of the compounds exhibit antithrombotic activity via direct, selective inhibition of thrombin. The invention includes a composition for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation in a mammal, comprising a compound of the invention in a pharmaceutically acceptable carrier. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  本发明涉及Ketothiazole alkoxyguanidine和aminoguanidine类似物，包括式（I）中的化合物，其中X为O或NR9，Het，A，R？1，R7，R8，R12，R13，Ra，Rb，Rc¿，Z，m和n在说明书中阐述，以及其水合物，溶剂化物或药学上可接受的盐，用于抑制蛋白酶酶，如凝血酶。还描述了制备这种化合物的方法。本发明的化合物是蛋白酶的有效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如胰蛋白酶，凝血酶，纤溶酶和Xa因子。其中某些化合物通过直接选择性抑制凝血酶表现出抗血栓作用。本发明包括一种用于抑制哺乳动物中的血小板丢失，抑制血小板聚集的形成，抑制纤维蛋白形成，抑制血栓形成和抑制栓塞形成的组合物，其中包括本发明的化合物和药学上可接受的载体。本发明的化合物的其他用途是作为抗凝剂，嵌入或物理连接到用于血液收集，血液循环和血液储存的设备中使用的材料中，例如导管，血液透析机，血液收集注射器和管道，血液管路和支架。此外，这些化合物可以被检测标记并用于体内血栓成像。
• METHODS FOR PREPARING SYNTHETIC BILE ACIDS AND COMPOSITIONS COMPRISING THE SAME
  申请人：Moriarty Robert M.

  公开号：US20130261317A1

  公开（公告）日：2013-10-03

  This invention relates generally to methods for preparing certain bile acids from non-mammalian sourced starting materials as well as to synthetic bile acids and compositions comprising such acids wherein the acids are characterized by a different C 14 population than naturally occurring bile acids as well as being free from any mammalian pathogens. This invention is also directed to the synthesis of intermediates useful in the synthesis of such bile acids. Accordingly, the C ring of the steroidal scaffold is oxidized to provide a synthetic route and intermediates to DCA. This invention also provides synthetic methods for preparing deoxycholic acid or a salt thereof starting from aromatic steroids such as estrogen, equilenin, and derivatives thereof. This invention is also directed to intermediates such as 12-oxo or delta-9,11-ene steroids as well as novel processes for their preparation. In preferred embodiments, bile acids are provided herein which have substituents on the B-ring and/or D-ring side chain and optionally on the hydroxy group of the A-ring.

  本发明涉及从非哺乳动物来源的起始材料制备某些胆汁酸的方法，以及合成胆汁酸和包含这些酸的组合物，其中这些酸的特征是具有与自然存在的胆汁酸不同的C14种群，并且不含任何哺乳动物病原体。本发明还涉及合成在合成这种胆汁酸中有用的中间体。因此，甾体骨架的C环被氧化以提供合成路线和到DCA的中间体。本发明还提供了用芳香族类固醇（如雌激素、雌烯酮及其衍生物）起始制备脱氧胆酸或其盐的合成方法。本发明还涉及12-氧代或δ-9,11-烯类固醇等中间体以及其制备的新型过程。在首选实施例中，本发明提供了具有B环和/或D环侧链以及可选地具有A环羟基上取代基的胆汁酸。
• Heterocycle-bearing onium salts
  申请人：Ishihara Masami

  公开号：US20050233253A1

  公开（公告）日：2005-10-20

  The present invention relates to a heterocycle-containing onium salt useful as, for example, a cationic photopolymerization initiator and an acid generator for a chemically amplified resist, and provides “a heterocycle-containing onium salt shown by the general formula [1]: [wherein R is a group shown by the general formula [2]: (wherein R 3 and R 4 are each independently a halogen atom, an alkyl group which may have a halogen atom or an aryl group as a substituent, or an aryl group which may have a halogen atom or a lower alkyl group as a substituent; X 2 is an oxygen atom or a sulfur atom; i is an integer of 0 to 4; and j is an integer of 0 to 3), or a group shown by the general formula [3]: (wherein R 5 and R 6 are each independently a halogen atom, an alkyl group which may have a halogen atom or an aryl group as a substituent, or an aryl group which may have a halogen atom or a lower alkyl group as a substituent; X 3 and X 4 are each independently an oxygen atom or a sulfur atom; p is an integer of 0 to 2; and q is an integer of 0 to 3); R 1 and R 2 are each independently a halogen atom, an alkyl group which may have a halogen atom or an aryl group as a substituent, or an aryl group which may have a halogen atom or a lower alkyl group as a substituent; m and n are each independently an integer of 0 to 5; and A is a halogen atom or an anion derived from an inorganic strong acid, an organic acid or a compound shown by the general formula [4]: HM 1 (R 7 ) 4 [4] (wherein M 1 is a boron atom or a gallium atom; and R 7 is an aryl group which may have a substituent selected from a lower haloalkyl group, a halogen atom, a nitro group and a cyano group)]” or “a heterocycle-containing onium salt shown by the general formula [35]: [wherein R 26 and R 27 are each independently an aryl group which may have a halogen atom or a lower alkyl group as a substituent, a group shown by the above-mentioned general formula [2], or a group shown by the above-mentioned general formula [3]; and A 3 is a halogen atom or an anion derived from an inorganic strong acid, an organic acid or a compound shown by the general formula [4]; and provided that at least one of R 26 and R 27 is a group shown by the above-mentioned general formula [2] or [3], and when only one of R 26 and R 27 is a group shown by the above-mentioned general formula [2] or [3], A 3 is an anion derived from an inorganic strong acid shown by the general formula [36]; HM 3 F 6 [36] (wherein M 3 is a phosphorus atom, an arsenic atom or an antimony atom), an organic acid or a compound shown by the general formula [4]]”.

  本发明涉及一种含杂环离子盐，例如，用作阳离子光聚合引发剂和化学增感抗蚀剂的酸发生剂，并提供“一种由通式[1]所示的含杂环离子盐：[其中R是由通式[2]所示的基团：（其中R3和R4分别独立地是卤素原子，可能具有卤素原子或芳基取代基的烷基基团，或可能具有卤素原子或较低烷基基团的芳基基团；X2是氧原子或硫原子；i是0到4的整数；j是0到3的整数），或由通式[3]所示的基团：（其中R5和R6分别独立地是卤素原子，可能具有卤素原子或芳基取代基的烷基基团，或可能具有卤素原子或较低烷基基团的芳基基团；X3和X4分别独立地是氧原子或硫原子；p是0到2的整数；q是0到3的整数）；R1和R2分别独立地是卤素原子，可能具有卤素原子或芳基取代基的烷基基团，或可能具有卤素原子或较低烷基基团的芳基基团；m和n分别独立地是0到5的整数；A是从无机强酸，有机酸或由通式[4]所示的化合物得到的卤素离子或阴离子：HM1（R7）4[4]（其中M1是硼原子或镓原子；R7是可能选择自较低卤代烷基基团、卤素原子、硝基基团和氰基团的芳基基团）]”或“一种由通式[35]所示的含杂环离子盐：[其中R26和R27分别独立地是可能具有卤素原子或较低烷基基团的芳基基团，上述通式[2]所示的基团或上述通式[3]所示的基团；A3是从无机强酸，有机酸或由通式[4]所示的化合物得到的卤素离子或阴离子；并且至少其中之一的R26和R27是上述通式[2]或[3]所示的基团，当仅R26和R27中的一个是上述通式[2]或[3]所示的基团时，A3是从通式[36]所示的无机强酸得到的阴离子：HM3F6[36]（其中M3是磷原子、砷原子或锑原子），有机酸或由通式[4]所示的化合物]”。
• SILYLAMINE COMPOUND AND LATENT CURING AGENT COMPRISING SAID SILYLAMINE COMPOUND
  申请人：Koei Chemical Company, Limited

  公开号：EP3875461A1

  公开（公告）日：2021-09-08

  An object of the present invention is to provide a compound suitable for use as a latent curing agent, which does not produce an aldehyde compound when caused to react with an isocyanate compound. The present invention provides, as the compound, a silylamine compound represented by the following formula (1): in the formula (1), R1 to R12 each independently represent an alkyl group having 1 to 6 carbon atoms, R13 represents an alkylene group having 2 to 12 carbon atoms or an arylene group having 6 to 12 carbon atoms, R14 to R21 each independently represent a hydrogen atom or an alkyl group having 1 to 6 carbon atoms, "y" and "z" each independently represent an integer of from 1 to 11, and "n" represents an integer of from 1 to 43.

  本发明的目的是提供一种适合用作潜在固化剂的化合物，该化合物在与异氰酸酯化合物反应时不会产生醛化合物。本发明提供了由下式（1）表示的硅胺化合物作为该化合物： 式（1）中，R1 至 R12 各自独立地代表具有 1 至 6 个碳原子的烷基，R13 代表具有 2 至 12 个碳原子的亚烷基或具有 6 至 12 个碳原子的芳烯基，R14 至 R21 各自独立地代表氢原子或具有 1 至 6 个碳原子的烷基，"y "和 "z "各自独立地代表 1 至 11 的整数，"n "代表 1 至 43 的整数。