4-hydroxy-5-iodo-2-methylbenzoic acid | 201810-63-1

• 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-hydroxy-5-iodo-2-methylbenzoic acid
• 英文别名: 5-Jod-4-hydroxy-2-methyl-benzoesaeue；4-Hydroxy-5-jod-2-methyl-benzoesaeure；2-methyl-4-hydroxy-5-iodobenzoic Acid
• CAS: 201810-63-1
• 化学式: C₈H₇IO₃
• 分子量: 278.046
• InChiKey: XBEORXBAJZOYJF-UHFFFAOYSA-N

物化性质

• 熔点：
  210-212 °C
• 沸点：
  335.8±42.0 °C(Predicted)
• 密度：
  2.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-hydroxy-5-iodo-2-methylbenzoic acid 在 potassium carbonate 、 乙酰氯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-benzyloxy-5-iodo-2-methylbenzoic acid methyl ester
  参考文献：
  名称：

  [EN] PYRROLIDINYL AND PIPERIDINYL COMPOUNDS USEFUL AS NHE-1 INHIBITORS
  [FR] COMPOSÉS PYRROLIDINYLIQUE ET PIPÉRIDINYLIQUE UTILES COMME INHIBITEURS DE NHE-1

  摘要：

  公开了公式（I）的化合物和本发明的组合物，它们是钠质子交换器同型-1（NHE-1）的抑制剂。还公开了使用和制造相同的方法。

  公开号：

  WO2010005783A1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 sodium hydroxide 作用下， 生成 4-hydroxy-5-iodo-2-methylbenzoic acid
  参考文献：
  名称：

  The congenital chloride diarrhea gene is expressed in seminal vesicle, sweat gland, inflammatory colon epithelium, and in some dysplastic colon cells

  摘要：

  Congenital chloride diarrhea (CLD) is an autosomal recessive disorder of intestinal electrolyte transportation caused by mutations in the anion transporter protein encoded by the down-regulated in adenoma (DRA), or CLD, gene. In this study, in situ hybridization and immunohistochemistry were performed to investigate the expression of CLD in extraintestinal normal epithelia and in intestinal inflammatory and neoplastic epithelia. The expression of the closely related anion transporter diastrophic dysplasia sulfate transporter, DTDST, was also examined and compared with that of CLD in colon. The only extraintestinal tissues showing CLD expression were eccrine sweat Elands and seminal vesicles. In inflammatory bowel disease and ischemic colitis, expression of CLD mRNA in colon epithelium was similar to histologically normal colon epithelium, but the protein was found deeper in crypts, including proliferative epithelial cells. In intestinal tumors, the expression pattern of CLD was dependent on the differentiation status of the tissue studied: epithelial polyps with no or minor dysplasia showed abundant expression, whereas adenocarcinomas were negative. The DTDST gene was abundantly expressed in the upper crypt epithelium of colonic mucosa.

  DOI：

  10.1007/s004180000131

文献信息

• 含咪唑稠合三环类化合物及其应用
  申请人：广州必贝特医药技术有限公司

  公开号：CN107383024B

  公开（公告）日：2018-06-08

  本发明公开了具有式(I)所示结构的含咪唑稠合三环类化合物或者其药学上可接受的盐或者其立体异构体或者其前药分子。该类化合物具有调节IDO1活性的作用，这类化合物通过阻断免疫检查点IDO1，可以增强T细胞激活，用于治疗IDO1介导的免疫抑制，从而能够成为治疗恶性肿瘤的有效药物。与检查点蛋白的抗体药物或其他抗癌药物合用，可以增强抗癌效果。同时也有潜力有效治疗与IDO1异常有关的免疫抑制性疾病，有较大的应用价值。
• Aminoalkoxybenzoyl-benzofuran or benzothiophene derivatives, method of preparing same and compositions containing same
  申请人：——

  公开号：US20030225100A1

  公开（公告）日：2003-12-04

  Benzothiophenes and related compounds of formula (1), wherein A, B, Z are independently —CH═, —CR 4 ═ or ═N—; X is —S—, —O—, —NH—, —NR 2 , —CH 2 —CH 2 —, CH 2 —CH 2 —CH 2 —, —CH 2 —O—; —OCH 2 —, —CH 2 —S—, —CO—, —SCH 2 —. —N═CR 2 — or —R 2 C═N—; Y is optionally substituted phenyl, alkyl, cycloalkyl, cycloalkenyl, heterocycle or bicyclic ring system; D is —CO—, CR 2 R 3 —, —CONH—, —NHCO—, —CR 2 (OH)—, —CONR 2 , NOR 1 CH—NO 2 N—CN —NR 2 —CO—, —C—, —C—, —C—; E is a single bond, optionally substituted phenyl, heterocycle; Z 1 is —(CH 2 ) p W(CH 2 ) q —, —O(CH 2 ) p CR 5 R 6 — or —O(CH 2 ) p W(CH 2 ) q ; G is —NR 7 R 8 , (a), (b), (c), a 5- or 6-membered saturated, unsaturated or partially unsaturated and optionally substituted heterocycle or a bicyclic amine containing 5 to 12 carbon atoms either bridged or fused and optionally substituted and R is halogen, —NR 2 R 3 , —NHCOR 2 , —NHSO 2 R 2 , —CR 2 R 3 OH, —CONR 2 R 3 , —SO 2 NR 2 R 3 , OH, —OR 1 , —O—COR 1 ; are estrogen agonists which are useful for treating syndromes and diseases caused by estrogen deficiency. 1

  苯并噻吩及其相关化合物的化学式（1），其中A、B、Z分别为—CH，—CR4或N—；X为—S—，—O—，—NH—，—NR2，—CH2— —， — — —，— —O—，—O —，— —S—，—CO—，—S —，—NCR2—或R2CN—；Y为可选择地取代的苯基，烷基，环烷基，环烯基，杂环或双环环系统；D为—CO—，CR2R3—，—CONH—，—NHCO—，—CR2（OH）—，—CONR2，NOR1CH—NO2N—CN—NR2—CO—，—C—，—C—，—C—；E为单键，可选择地取代的苯基，杂环；Z1为—（ ）pW（ ）q—，—O（ ）pCR5R6—或—O（ ）pW（ ）q；G为—NR7R8，（a），（b），（c），一种含有5至12个碳原子的5-或6-成员饱和，不饱和或部分不饱和且可选择地取代的杂环或含有5至12个碳原子的双环胺，可以是桥接或融合的，并可选择地取代；R为卤素，—NR2R3，—NHCOR2，—NHSO2R2，—CR2R3OH，—CONR2R3，—SO2NR2R3，OH，—OR1，—OCOR1；是雌激素激动剂，可用于治疗由雌激素缺乏引起的综合征和疾病。
• [EN] AMINOALKYLBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME<br/>[FR] AMINOALKYLBENZOYL-BENZOFURANES OU BENZOTHIOPHENES, LEUR PROCEDE DE PREPARATION ET LES COMPOSITIONS LES CONTENANT
  申请人：SANOFI SYNTHELABO

  公开号：WO2002016339A1

  公开（公告）日：2002-02-28

  L'invention concerne des nouveaux dérivés de benzofurane ou de benzothiophène de formule générale (I). Ces composés sont utiles comme médicaments notamment dans le traitement des syndromes pathologiques du système cardio-vasculaire.

  该发明涉及公式（I）的新苯并呋喃或苯并噻吩衍生物。这些化合物在治疗心血管系统病理综合征方面是有用的药物。
• Pyrrolidinyl and Piperidinyl Compounds Useful as NHE-1 Inhibitiors
  申请人：Bentzien Joerg Martin

  公开号：US20110118262A1

  公开（公告）日：2011-05-19

  Disclosed are compounds of formula (I) and compositions of the present invention which are inhibitors of the sodium proton exchanger isoform-1 (NHE-I). Also disclosed are methods of using and making the same.

  本发明揭示了化合物(I)和组合物，它们是钠质子交换器亚型-1（NHE-I）的抑制剂。同时还揭示了使用和制备这些化合物的方法。
• FIBRINOGEN RECEPTOR ANTAGONISTS
  申请人：MERCK & CO., INC.

  公开号：EP0912175A1

  公开（公告）日：1999-05-06