3-isopropyl-pentane-1,5-diol | 61898-54-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-isopropyl-pentane-1,5-diol
• 英文别名: 3-Isopropyl-pentan-1,5-diol；3-Isopropyl-1,5-dihydroxypentan；3-Isopropyl-1,5-pentandiol；3-Isopropylpentan-1,5-diol；3-(Propan-2-yl)pentane-1,5-diol；3-propan-2-ylpentane-1,5-diol
• CAS: 61898-54-2
• 化学式: C₈H₁₈O₂
• 分子量: 146.23
• InChiKey: TUAGLJNGSSWWJF-UHFFFAOYSA-N

物化性质

• 沸点：
  241.2±8.0 °C(Predicted)
• 密度：
  0.935±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-isopropyl-pentane-1,5-diol 在 acetate buffer pH 5 作用下， 以 水 为溶剂， 反应 168.0h， 以29%的产率得到(R)-4-异丙基四氢-2H-吡喃-2-酮
  参考文献：
  名称：

  Enantiotopically selective oxidation of .alpha.,.omega.-diols with enzyme systems of microorganisms

  摘要：

  DOI：

  10.1021/jo00133a033
• 作为产物：
  描述：

  戊烯二酸二甲酯 在 copper(l) iodide 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 3-isopropyl-pentane-1,5-diol
  参考文献：
  名称：

  Design, Synthesis, and Antipicornavirus Activity of 1-[5-(4-Arylphenoxy)alkyl]-3-pyridin-4-ylimidazolidin-2-one Derivatives

  摘要：

  A series of pyridylimidazolidinone derivatives was synthesized and tested in vitro against enterovirus 71 (EV71). On the basis of compound 33 (DBPR103), introduction of a methyl group at the 2- or 3-position of the linker between the imidazolidinone and the biphenyl resulted in markedly improved antiviral activity toward EV71 with IC50 values of 5.0 nM (24b) and 9.3 nM (14a), respectively. Increasing the branched chain to propyl resulted in a progressive decrease in activity, while inserting different heteroatoms entirely rendered the compound only weakly active. The introduction of a bulky group (cyclohexyl, phenyl, or benzyl) led to loss of activity against EV71. The 4-chlorophenyl moiety in 14a was replaced with bioisosteric groups such as oxadiazole (28a-d) or tetrazole (32a,b), dramatically improving anti-EV71 activity and selectivity indices. Compounds 14a, 24b, 28b, 28d, and 32a exhibited a strong activity against lethal EV71, and no apparent cellular toxicity was observed. Three of the more potent imidazolidinone compounds, 14a, 28b, and 32b, were subjected to a large group of picornaviruses to determine their spectrum of antiviral activity.

  DOI：

  10.1021/jm050033v

文献信息

• [EN] QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLONE UTILISÉS EN TANT QU'INHIBITEURS DU RÉCEPTEUR DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2016191172A1

  公开（公告）日：2016-12-01

  Compounds of formula (I) that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公式(I)的化合物是成纤维细胞生长因子抑制剂（FGFR），因此可用于治疗可通过抑制FGFR治疗的疾病。还披露了包含此类化合物的药物组合物以及制备此类化合物的过程。
• Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors
  申请人：Rodgers D. James

  公开号：US20070135461A1

  公开（公告）日：2007-06-14

  The present invention provides heteroaryl substituted pyrrolo[2,3-b]pyridines and heteroaryl substituted pyrrolo[2,3-b]pyrimidines that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases, skin disorders, myeloid proliferative disorders, cancer, and other diseases.

  本发明提供了杂环取代的吡咯并[2,3-b]吡啶和杂环取代的吡咯并[2,3-b]嘧啶，可以调节雅努斯激酶的活性，并且在治疗与雅努斯激酶活性相关的疾病中具有用处，例如免疫相关疾病、皮肤疾病、髓增生性疾病、癌症和其他疾病。
• [EN] ANGIOTENSIN II RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RÉCEPTEUR DE L'ANGIOTENSINE II
  申请人：MERCK & CO INC

  公开号：WO2009094242A1

  公开（公告）日：2009-07-30

  A compound having the structure (I) wherein R is an angiotensin receptor antagonist active group, Y is selected from the group consisting of (II), and 2) -C(R1H)OC(O)X((CR12R13)-(CHR10)m-(CH2)n-Zp-(CH2)q-(CHR11)r-(CR16R17))-R5; Z is O- or (CR14R15)-; m, n, p, q, and r are independently selected from the group consisting of 0 and 1; X is O- or (CR18R19)-; R1 is selected from the group consisting of hydrogen, C1-4 alkyl, aryl and C1-4 alkylaryl; R5 is -O-N=N(O)-NR3R4; or a pharmaceutically acceptable salt or hydrate thereof, which is useful for treating hypertension.

  具有结构（I）的化合物，其中R是一种血管紧张素受体拮抗剂活性基团，Y选自以下组合中的一种：（II）和2）-C（R1H）OC（O）X（（CR12R13）-（CHR10）m-（CH2）n-Zp-（ ）q-（CHR11）r-（CR16R17））-R5；Z为O-或（CR14R15）-；m、n、p、q和r分别从0和1组成的组合中独立选择；X为O-或（CR18R19）-；R1从氢、C1-4烷基、芳基和C1-4烷基芳基组成的组合中选择；R5为-O-N=N（O）-NR3R4；或其药学上可接受的盐或水合物，用于治疗高血压。
• HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS
  申请人：Rodgers James D.

  公开号：US20090181959A1

  公开（公告）日：2009-07-16

  The present invention provides heteroaryl substituted pyrrolo[2,3-b]pyridines and heteroaryl substituted pyrrolo[2,3-b]pyrimidines that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases, skin disorders, myeloid proliferative disorders, cancer, and other diseases.

  本发明提供了杂环取代的吡咯并[2,3-b]吡啶和杂环取代的吡咯并[2,3-b]嘧啶，可调节Janus激酶的活性，并可用于治疗与Janus激酶活性相关的疾病，包括免疫相关疾病、皮肤疾病、髓系增生性疾病、癌症和其他疾病。
• Heterocyclic Compounds as Janus Kinase Inhibitors
  申请人：Babu Yarlagadda S.

  公开号：US20120149662A1

  公开（公告）日：2012-06-14

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula (I), processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula (I) and therapeutic methods for suppressing an immune response or treating cancer or a hematologic malignancy using compounds of formula (I).

  本发明提供了以下式子（I）的化合物或其盐，如本文所述。本发明还提供了包含式子（I）化合物的制药组合物，制备式子（I）化合物的方法，用于制备式子（I）化合物的中间体以及使用式子（I）化合物抑制免疫反应或治疗癌症或血液恶性肿瘤的治疗方法。