4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenol | 669055-87-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenol
• 英文别名: 4-(5-propan-2-ylsulfanyltetrazol-1-yl)phenol
• CAS: 669055-87-2
• 化学式: C₁₀H₁₂N₄OS
• mdl: MFCD10132424
• 分子量: 236.297
• InChiKey: XWOOPSAXFUEONI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  89.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenol 、 3-溴-1-丙醇 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 15.0h， 生成 3-[4-(5-isopropyisulfanyl-tetrazol-1-yl)-phenoxy]-propan-1-ol
  参考文献：
  名称：

  [EN] 4-(3,3-DIHALO-ALLYLOXY) PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES
  [FR] DERIVES DE 4-(3,3-DIHALO-ALLYLOXY)PHENOL DOTES DE PROPRIETES PESTICIDES

  摘要：

  公开号：

  WO2004020445A3
• 作为产物：
  描述：

  2-碘代丙烷 、 1-(4-羟基苯基)-5-巯基-四氮唑 在 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 5.0h， 生成 4-(5-isopropylsulfanyl-tetrazol-1-yl)-phenol
  参考文献：
  名称：

  [EN] 4-(3,3-DIHALO-ALLYLOXY) PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES
  [FR] DERIVES DE 4-(3,3-DIHALO-ALLYLOXY)PHENOL DOTES DE PROPRIETES PESTICIDES

  摘要：

  公开号：

  WO2004020445A3

文献信息

• Dioxanes and uses thereof
  申请人：——

  公开号：US20040072849A1

  公开（公告）日：2004-04-15

  In recognition of the need to develop novel therapeutic agents and efficient methods for the synthesis thereof, the present invention provides novel compounds of general formula (I): 1 and pharmaceutically acceptable derivatives thereof, wherein R 1 , R 2 , R 3 , n, X and Y are as defined herein. The present invention also provides pharmaceutical compositions comprising a compound of formula (I) and a pharmaceutically acceptable carrier. The present invention further provides compounds capable of inhibiting histone deacetylatase activity and methods for treating disorders regulated by histone deacetylase activity (e.g., cancer and protozoal infections) comprising administering a therapeutically effective amount of a compound of formula (I) to a subject in need thereof. The present invention additionally provides methods for modulating the glucose-sensitive subset of genes downstream of Ure2p. The present invention also provides methods for preparing compounds of the invention.

  鉴于需要开发新型治疗剂和有效的合成方法，本发明提供了一般式(I)的新化合物： 1 及其药学上可接受的衍生物，其中R 1 ，R 2 ，R 3 ，n，X和Y如本文所定义。本发明还提供了包含一种式(I)化合物和药学上可接受的载体的药物组合物。本发明还提供了能够抑制组蛋白去乙酰化酶活性的化合物以及治疗由组蛋白去乙酰化酶活性调节的疾病的方法（例如，癌症和原虫感染），包括向需要的受体施用一种式(I)化合物的治疗有效量。本发明还提供了调节Ure2p下游葡萄糖敏感基因子集的方法。本发明还提供了制备本发明化合物的方法。
• HISTONE DEACETYLASE INHIBITORS
  申请人：Bradner James Elliot

  公开号：US20100056588A1

  公开（公告）日：2010-03-04

  In recognition of the need to develop novel therapeutic agents, the present invention provides novel histone deacetylase inhibitors. These compounds include an ester bond making them sensitive to deactivation by esterases. Therefore, these compounds are particularly useful in the treatment of skin disorders. When the compounds reaches the bloodstream, an esterase or an enzyme with esterase activity cleaves the compound into biologically inactive fragments or fragments with greatly reduced activity Ideally these degradation products exhibit a short serum and/or systemic half-life and are eliminated rapidly. These compounds and pharmaceutical compositions thereof are particularly useful in treating cutaneous T-cell lymphoma, neurofibromatosis, psoriasis, hair loss, skin pigmentation, and dermatitis, for example. The present invention also provides methods for preparing compounds of the invention and intermediates thereto.

  为了开发新型治疗剂，本发明提供了新型组蛋白去乙酰化酶抑制剂。这些化合物包括酯键，使它们对酯酶的失活敏感。因此，这些化合物在治疗皮肤疾病方面特别有用。当这些化合物进入血液循环时，酯酶或具有酯酶活性的酶将其裂解成生物学上不活性的碎片或具有大大降低活性的碎片。理想情况下，这些降解产物表现出短的血清和/或系统半衰期，并迅速被排出体外。这些化合物及其制剂在治疗切除性T细胞淋巴瘤、神经纤维瘤、银屑病、脱发、皮肤色素沉着和皮炎等方面特别有用。本发明还提供了制备本发明化合物及其中间体的方法。
• 4-(3,3-dihalo-allyloxy) phenol derivatives having pesticidal properties
  申请人：Zambach Werner

  公开号：US20050288186A1

  公开（公告）日：2005-12-29

  Compounds of formula (I) wherein A o is a bond or a C 1 -C 6 alkylene bridge; A 1 , A 2 and A 3 are a C 1 -C 6 alkylene bridge; D is CH or N; W is, for example, O, S, SO, S0 2 , —C(═O)—O— or —O—C(═O)—; T is a bond or, for example, O, NH, S, SO or SR 2 ; Q is, for example, O, S, SO or SO 2 ; Y is, for example, O, S, SO or SO 2 ; X 1 and X 2 are each independently of the other fluorine, chlorine or bromine; R 1 , R 2 and R 3 are, for example, H, halogen, OH, SH, CN or nitro; R 4 is, for example, H, halogen, OH, SH, CN, nitro or C 1 -C 6 alkyl; R 5 is, for example, H, CN, OH, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; k is 1, 2 or 3 when D is nitrogen; or is 1, 2, 3 or 4 when D is CH; m is 1 or 2; E is heteroaryl which is unsubstituted or substituted—depending upon the substitutions possible on the ring—by from one to four identical or different substituents selected from R 10 ; and R 10 is, for example, halogen, CN, NO 2 , OH, SH or C 1 -C 6 alkyl; and, where applicable, their possible E/Z isomers, E/Z isomeric mixtures and/or tautomers, in each case in free form or in salt form, a process for the preparation of those compounds and their use, pesticidal compositions in which the active ingredient has been selected from those compounds or an agrochemically acceptable salt thereof, a process for the preparation of those compositions and their use, plant propagation material treated with those compositions, and a method of controlling pests.

  式(I)的化合物，其中A是键或C1-C6烷基桥；A1、A2和A3是C1-C6烷基桥；D是CH或N；W是例如O、S、SO、S02、—C(═O)—O—或—O—C(═O)—；T是键或例如O、NH、S、SO或SR2；Q是例如O、S、SO或SO2；Y是例如O、S、SO或SO2；X1和X2各自独立地是氟、氯或溴；R1、R2和R3是例如H、卤素、OH、SH、CN或硝基；R4是例如H、卤素、OH、SH、CN、硝基或C1-C6烷基；R5是例如H、CN、OH、C1-C6烷基或C3-C8环烷基；当D是氮时，k是1、2或3；当D是CH时，k是1、2、3或4；m是1或2；E是杂环芳烃，未取代或取代-取决于环上可能的取代物-由1至4个相同或不同的R10取代基选自；R10是例如卤素、CN、NO2、OH、SH或C1-C6烷基；在适用的情况下，它们可能的E/Z异构体、E/Z异构体混合物和/或互变异构体，均为自由形式或盐形式，制备这些化合物的过程及其用途，农药组合物，其中活性成分已从这些化合物或其农业化学上可接受的盐中选择，制备这些组合物的过程及其用途，用这些组合物处理的植物繁殖材料，以及控制害虫的方法。
• 4-(3,3-DIHALO-ALLYLOXY)PHENOL DERIVATIVES HAVING PESTICIDAL PROPERTIES
  申请人：Zambach Werner

  公开号：US20100016383A1

  公开（公告）日：2010-01-21

  Compounds of formula wherein A 0 is a bond or a C 1 -C 6 alkylene bridge; A 1 , A 2 and A 3 are a C 1 -C 6 alkylene bridge; D is CH or N; W is, for example, O, S, SO, SO 2 , —C(═O)—O— or —O—C(═O)—; T is a bond or, for example, O, NH, S, SO or SR 2 ; Q is, for example, O, S, SO or SO 2 ; Y is, for example, O, S, SO or SO 2 ; X 1 and X 2 are each independently of the other fluorine, chlorine or bromine; R 1 , R 2 and R 3 are, for example, H, halogen, OH, SH, CN or nitro; R 4 is, for example, H, halogen, OH, SH, CN, nitro or C 1 -C 6 alkyl; R 5 is, for example, H, CN, OH, C 1 -C 6 alkyl or C 3 -C 8 cycloalkyl; k is 1, 2 or 3 when D is nitrogen; or is 1, 2, 3 or 4 when D is CH; m is 1 or 2; E is heteroaryl which is unsubstituted or substituted—depending upon the substitutions possible on the ring—by from one to four identical or different substituents selected from R 10 ; and R 10 is, for example, halogen, CN, NO 2 , OH, SH or C 1 -C 6 alkyl; and, where applicable, their possible E/Z isomers, E/Z isomeric mixtures and/or tautomers, in each case in free form or in salt form, a process for the preparation of those compounds and their use, pesticidal compositions in which the active ingredient has been selected from those compounds or an agrochemically acceptable salt thereof, a process for the preparation of those compositions and their use, plant propagation material treated with those compositions, and a method of controlling pests.

  该化合物的公式为：其中A0是键或C1-C6烷基桥；A1、A2和A3是C1-C6烷基桥；D是CH或N；W例如为O、S、SO、SO2、—C（═O）—O—或—O—C（═O）—；T是键或例如O、NH、S、SO或SR2；Q例如为O、S、SO或SO2；Y例如为O、S、SO或SO2；X1和X2各自独立地为氟、氯或溴；R1、R2和R3例如为H、卤素、OH、SH、CN或硝基；R4例如为H、卤素、OH、SH、CN、硝基或C1-C6烷基；R5例如为H、CN、OH、C1-C6烷基或C3-C8环烷基；当D为氮时，k为1、2或3；当D为CH时，k为1、2、3或4；m为1或2；E是杂环芳基，未取代或被从R10中选择的一个到四个相同或不同的取代基（取决于环上可能的取代物）取代；R10例如为卤素、CN、NO2、OH、SH或C1-C6烷基；以及可能的E/Z异构体、E/Z异构体混合物和/或互变异构体，在自由形式或盐形式中，制备这些化合物的方法及其用途，所述活性成分选自这些化合物或其农药学上可接受的盐的杀虫剂组合物，制备这些组合物的方法及其用途，用这些组合物处理的植物繁殖材料以及控制害虫的方法。
• Histone deacetylase inhibitors
  申请人：President & Fellows of Harvard College

  公开号：US10172821B2

  公开（公告）日：2019-01-08

  In recognition of the need to develop novel therapeutic agents, the present invention provides novel histone deacetylase inhibitors. These compounds include an ester bond making them sensitive to deactivation by esterases. Therefore, these compounds are particularly useful in the treatment of skin disorders. When the compounds reaches the bloodstream, an esterase or an enzyme with esterase activity cleaves the compound into biologically inactive fragments or fragments with greatly reduced activity Ideally these degradation products exhibit a short serum and/or systemic half-life and are eliminated rapidly. These compounds and pharmaceutical compositions thereof are particularly useful in treating cutaneous T-cell lymphoma, neurofibromatosis, psoriasis, hair loss, skin pigmentation, and dermatitis, for example. The present invention also provides methods for preparing compounds of the invention and intermediates thereto.

  考虑到开发新型治疗药物的需要，本发明提供了新型组蛋白去乙酰化酶抑制剂。这些化合物包括一个酯键，使其对酯酶的失活敏感。因此，这些化合物特别适用于治疗皮肤疾病。当这些化合物进入血液后，酯酶或具有酯酶活性的酶会将化合物裂解为无生物活性的片段或活性大大降低的片段，理想情况下，这些降解产物的血清和/或全身半衰期很短，并能迅速消除。这些化合物及其药物组合物尤其适用于治疗皮肤 T 细胞淋巴瘤、神经纤维瘤病、银屑病、脱发、皮肤色素沉着和皮炎等。本发明还提供了制备本发明化合物及其中间体的方法。