2-氟-4-碘苯酚 | 2713-28-2

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氟-4-碘苯酚
• 英文名称: 2-fluoro-4-iodophenol
• CAS: 2713-28-2
• 化学式: C₆H₄FIO
• 分子量: 238.0
• InChiKey: FDOQGGGFQVVOBN-UHFFFAOYSA-N

物化性质

• 沸点：
  238.1±25.0 °C(Predicted)
• 密度：
  2.085±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2908199090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319

反应信息

• 作为反应物：
  描述：

  2-氟-4-碘苯酚 在 potassium phosphate 、 trans cyclohexane-1,2-diamine 、 三氟甲磺酸三甲基硅酯 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 4.0h， 生成 (2R,3R,4S,5S,6R)-2-(acetoxymethyl)-6-(2-fluoro-4-(1H-indol-1-yl)phenoxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  Antiadhesion Therapy for Urinary Tract Infections—A Balanced PK/PD Profile Proved To Be Key for Success

  摘要：

  The initial step for the successful establishment of urinary tract infections (UTIs), predominantly caused by uropathogenic Escherichia coli, is the adhesion of bacteria to urothelial cells. This attachment is mediated by FimH, a mannose-binding adhesin, which is expressed on the bacterial surface. To date, UTIs are mainly treated with antibiotics, leading to the ubiquitous problem of increasing resistance against most of the currently available antimicrobials. Therefore, new treatment strategies are urgently needed, avoiding selection pressure and thereby implying a reduced risk of resistance. Here, we present a new class of highly active antimicrobials, targeting the virulence factor FimH. When the most potent representative, an indolinylphenyl mannoside, was administered in a mouse model at the low dosage of 1 mg/kg (corresponding to approximately 25 mu g/mouse), the minimal therapeutic concentration to prevent UTI was maintained for more than 8 h. In a treatment study, the colony-forming units in the bladder could be reduced by almost 4 orders of magnitude, comparable to the standard antibiotic treatment with ciprofloxacin (8 mg/kg, sc).

  DOI：

  10.1021/jm300192x
• 作为产物：
  描述：

  2-氟苯酚 在 一氯化碘 作用下， 以 溶剂黄146 为溶剂， 生成 2-氟-4-碘苯酚
  参考文献：
  名称：

  ENTHALPIES OF INTRAMOLECULAR HALOGEN–HYDROXYL INTERACTIONS

  摘要：

  卤素-羟基相互作用的焓已经评估了碳四氯化物中的2-卤苯酚。这些值，以−kcal/mol为单位，校正了吸光系数的温度依赖性，为Cl = 1.44，Br = 1.21和I = 1.08。通过在不对称的2,6-二卤苯酚中测量的焓差异，表明2-氟苯酚中的相互作用介于2-溴苯酚和2-碘苯酚之间，从而重新确认了Cl > Br > F > I的顺序。

  DOI：

  10.1139/v65-083

文献信息

• COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES
  申请人：OxaluRx, Inc.

  公开号：US20210052586A1

  公开（公告）日：2021-02-25

  Disclosed herein are compounds and compositions for modulating glycolate oxidase, useful for treating oxalate-related diseases, such as hyperoxaluria, where modulating glycolate oxidase is expected to be therapeutic to a patent in need thereof. Methods of modulating glycolate oxidase activity in a human or animal subject are also provided.

  本文披露了用于调节甘醇酸氧化酶的化合物和组合物，用于治疗与草酸盐相关的疾病，如高草酸尿症，其中调节甘醇酸氧化酶预计对需要治疗的患者具有疗效。还提供了在人类或动物主体中调节甘醇酸氧化酶活性的方法。
• [EN] TARGETED BIFUNCTIONAL DEGRADERS<br/>[FR] AGENTS DE DÉGRADATION BIFONCTIONNELS CIBLÉS
  申请人：UNIV YALE

  公开号：WO2021072269A1

  公开（公告）日：2021-04-15

  The present invention provides, in one aspect, bifunctional compounds that can be used to promote or enhance degradation of certain circulating proteins. In another aspect, the present invention provides bifunctional compounds that can be used to promote or enhance degradation of certain autoantibodies. In certain embodiments, treatment or management of a disease and/or disorder requires degradation, removal, or reduction in concentration of the circulating protein or the autoantibody in the subject. Thus, in certain embodiments, administration of a compound of the invention to the subject removes or reduces the circulation concentration of the circulating protein or the autoantibody, thus treating, ameliorating, or preventing the disease and/or disorder. In certain embodiments, the circulating protein is TNF.

  本发明在一个方面提供了可以用来促进或增强降解某些循环蛋白的双功能化合物。在另一个方面，本发明提供了可以用来促进或增强降解某些自身抗体的双功能化合物。在某些实施方式中，治疗或管理疾病和/或疾病需要降解、去除或减少受试者体内循环蛋白或自身抗体的浓度。因此，在某些实施方式中，将本发明的化合物给予受试者可去除或减少循环蛋白或自身抗体的循环浓度，从而治疗、改善或预防疾病和/或疾病。在某些实施方式中，循环蛋白是TNF。
• [EN] HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF<br/>[FR] COMPOSÉS HÉTÉROARYLES ET LEURS APPLICATIONS PHARMACEUTIQUES
  申请人：SUNSHINE LAKE PHARMA CO LTD

  公开号：WO2016000615A1

  公开（公告）日：2016-01-07

  The present invention provides herein is a heteroaryl compound or a stereoisomer, a geometric isomer, a tautomer, a racemate, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, as well as a pharmaceutical composition containing the compound disclosed herein. The present invention also provides herein is use of the compound or the pharmaceutical composition thereof disclosed herein in the manufacture of a medicine for treating autoimmune diseases or proliferative diseases.

  本发明提供的是一种杂环芳基化合物或其立体异构体、几何异构体、互变异构体、消旋体、N-氧化物、水合物、溶剂合物、代谢物、药学上可接受的盐或其前药，以及含有本文所披露的化合物的药物组合物。本发明还提供的是使用本文所披露的化合物或其药物组合物制造用于治疗自身免疫疾病或增殖性疾病的药物。
• [EN] 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE DERIVATIVES AND RELATED COMPOUNDS AS BCL-XL PROTEIN INHIBITORS AND PRO-APOPTOTIC AGENTS FOR TREATING CANCER<br/>[FR] DÉRIVÉS DE 6,7-DIHYDRO-5H-PYRIDO[2,3-C]PYRIDAZINE ET COMPOSÉS APPARENTÉS EN TANT QU'INHIBITEURS DE PROTÉINE BCL-XL ET AGENTS PRO-APOPTOTIQUES POUR LE TRAITEMENT DU CANCER
  申请人：SERVIER LAB

  公开号：WO2021018858A1

  公开（公告）日：2021-02-04

  The present invention discloses 6,7-dihydro-5H-pyrido[2,3- c]pyridazine, 1,2,3,4-tetrahydroquinoline, 1H-indole, 3,4- dihydro-2H-1,4-benzoxazine, 1H-pyrrolo[2,3-b]pyridin-1-yl, 7H- pyrrolo[2,3-c]pyridazine, 5H,6H,7H,8H,9H-pyridazino[3,4-b]azepine derivatives and related compounds of formula (I) as Bcl-xL protein inhibitors for use as pro-apoptotic agents for treating cancer, autoimmune diseases or immune system diseases. Formula (I). The description discloses the preparation of exemplary compounds (e.g. pages 113 to 354 examples 1 to 221) as well as pharmacological studies with relevant data (e.g. pages 355 to 367; examples A to E; tables 1 to 5). Exemplary compounds are e.g. 2-6-[(1,3-benzothiazol-2-yl) amino]-1,2,3,4-tetrahydroquinolin-1-yl}-1,3-thiazole-4-carboxylic acid (example 1) or e.g. 3-1-[(adamantan-1-yl)methyl]-5- methyl-1H-pyrazol-4-yl}-6-3-[(1,3-benzothiazol-2-yl)amino]-4- methyl-5H,6H,7H,8H-pyrido[2,3-c]pyridazin-8-yl]pyridine-2-carboxylic acid (example 24).

  本发明公开了作为Bcl-xL蛋白抑制剂用于治疗癌症、自身免疫疾病或免疫系统疾病的促凋亡剂的6,7-二氢-5H-吡啶并[2,3-c]吡啶嗪、1,2,3,4-四氢喹啉、1H-吲哚、3,4-二氢-2H-1,4-苯并噁嗪、1H-吡咯并[2,3-b]吡啶-1-基、7H-吡咯并[2,3-c]吡啶嗪、5H,6H,7H,8H,9H-吡啶并[3,4-b]氮杂环庚烷衍生物和相关化合物的化学式(I)。描述了示例化合物的制备（例如第113至354页的示例1至221）以及具有相关数据的药理学研究（例如第355至367页；示例A至E；表1至5）。示例化合物包括例如2-6-[(1,3-苯并噻唑-2-基)氨基]-1,2,3,4-四氢喹啉-1-基}-1,3-噻唑-4-羧酸（示例1）或例如3-1-[(1-金刚烷-1-基)甲基]-5-甲基-1H-吡唑-4-基}-6-3-[(1,3-苯并噻唑-2-基)氨基]-4-甲基-5H,6H,7H,8H-吡啶并[2,3-c]吡啶-8-基]吡啶-2-羧酸（示例24）。
• [EN] PYRROLIDINE GPR40 MODULATORS FOR THE TREATMENT OF DISEASES SUCH AS DIABETES<br/>[FR] COMPOSÉS PYRROLIDINE MODULATEURS DE GPR40 POUR LE TRAITEMENT DE MALADIES TELLES QUE LE DIABÈTE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2015171722A1

  公开（公告）日：2015-11-12

  The present invention provides compounds of Formula (I) or a stereoisomer, a tautomer, a pharmaceutically acceptable salt, a polymorph, or a solvate thereof, wherein all of the variables are as defined herein. These compounds are GPR40 G protein-coupled receptor modulators which may be used as medicaments.

  本发明提供了式（I）的化合物或其立体异构体、互变异构体、药学上可接受的盐、多型体或溶剂化合物，其中所有变量均如本文所定义。这些化合物是GPR40 G蛋白偶联受体调节剂，可用作药物。