5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-amine | 383131-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-amine
• 英文别名: 5-(oxolan-2-yl)-1,3,4-thiadiazol-2-amine；5-(tetrahydro-furan-2-yl)-[1,3,4]thiadiazol-2-ylamine
• CAS: 383131-87-1
• 化学式: C₆H₉N₃OS
• mdl: MFCD02663880
• 分子量: 171.223
• InChiKey: OPDRNIZRTJOIEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  89.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-amine 在 四(三苯基膦)钯 氢溴酸 、 caesium carbonate 、 copper(I) bromide 、 sodium nitrite 作用下， 以 水 、 甲苯 、 正丁醇 为溶剂， 反应 3.25h， 生成 1-(3-{7-[5-(tetrahydrofuran-2-yl)-[1,3,4]thiadiazol-2-yl]imidazo[1,2-a]pyridin-3-yl}-phenyl)-3-(2,2,2-trifluoroethyl)urea
  参考文献：
  名称：

  [EN] IMIDAZOPYRIDINE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES
  [FR] DÉRIVÉS D'IMIDAZOPYRIDINE EN TANT QU'INHIBITEURS DE TYROSINES KINASES RÉCEPTRICES

  摘要：

  这项发明涉及新的双环杂环衍生物化合物，包括含有该化合物的药物组合物，以及利用该化合物治疗疾病，例如癌症。

  公开号：

  WO2009150240A1
• 作为产物：
  描述：

  tetrahydrofuran-2-ylthiocarboxylic acid 在 三乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 反应 3.0h， 生成 5-(tetrahydrofuran-2-yl)-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  抗结核化合物及其制备方法和用途

  摘要：

  本发明提供抗结核化合物及其制备方法和用途。具体地，本发明提供式I所示化合物、或其药学上可接受的盐或溶剂合物、其药物组合物、制备方法及其在制备治疗结核病的药物中的用途。本发明的化合物作用位点为天冬氨酸半醛脱氢酶(ASD)，其具有新的作用机制，可用于研制新型抗耐药MTB抗结核药物，

  公开号：

  CN109535146B

文献信息

• NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF
  申请人：FUJIFILM Corporation

  公开号：US20150322063A1

  公开（公告）日：2015-11-12

  A compound represented by Formula [1] (in the formula, Z 1 represents N, CH, or the like; X 1 represents NH or the like; R 1 represents a heteroaryl group or the like; each of R 2 , R 3 , and R 4 represents a hydrogen atom, a halogen atom, an alkoxy group, or the like; and R 5 represents a heteroaryl group or the like) or salt thereof.

  由式[1]表示的化合物（在该式中，Z表示N、CH或类似物；X表示NH或类似物；R表示杂环烷基或类似物；R2、R3和R4中的每一个表示氢原子、卤原子、烷氧基或类似物；R5表示杂环烷基或类似物）或其盐。
• [EN] 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS<br/>[FR] COMPOSES 1H-INDAZOLE-3-CARBOXAMIDE UTILISES EN TANT QU'INHIBITEURS DE KINASES CYCLINE-DEPENDANTES (CDK)
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2004014864A1

  公开（公告）日：2004-02-19

  The invention provides a compound of the formula (I) for use in the prophylaxis or treatment of a disease state or condition mediated by a cyclin dependent kinase: wherein A is a group R2 or CH2-R2 where R2 is a carbocyclic or heterocyclic group having from 3 to 12 ring members; B is a bond or an acyclic linker group having a linking chain length of up to 3 atoms selected from C, N, S and O; R1 is hydrogen or a group selected from SO2Rb,SO2NR7R8,CONR7R8,NR7R9 and carbocyclic and heterocyclic groups having from 3 to 7 ring members; R3, to R9 are defined in the description but excluding the compounds N-[(morpholin-4-yl)phenyl-1H-indazole-3-carboxamide and N-[4-(acetylaminosulphonyl)phenyl-1H-indazole-3-carboxamide.

  本发明提供了一种式(I)化合物，用于预防或治疗由细胞周期蛋白依赖性激酶介导的疾病状态或条件：其中A是R2基团或CH2-R2，其中R2是具有3至12个环成员的碳环或杂环基团；B是键或具有最多3个原子（选自C、N、S和O）的链长的不饱和链连接基团；R1是氢或选自SO2Rb、SO2NR7R8、CONR7R8、NR7R9以及具有3至7个环成员的碳环和杂环基团；R3至R9在说明书中定义，但不包括化合物N-[(吗啉-4-基)苯基-1H-吲唑-3-甲酰胺]和N-[4-(乙酰氨基磺酰基)苯基-1H-吲唑-3-甲酰胺]。
• [EN] BENZAMIDE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTÉRIENS À BASE DE BENZAMIDE
  申请人：PURDUE RESEARCH FOUNDATION

  公开号：WO2019199496A1

  公开（公告）日：2019-10-17

  The present invention generally relates to compounds as a new antibiotic to treat various infections, including infections caused by methicillin-resistant Staphylococcus aureus, vancomycin-intermediate and vancomycin-resistant Staphylococcus aureus, vancomycin-resistant Enterococcus faecalis and Clostridioides difficile. Pharmaceutical compositions and methods for treating those diseases are within the scope of this invention.

  本发明通常涉及化合物作为一种新的抗生素，用于治疗各种感染，包括由耐甲氧西林金黄色葡萄球菌、耐万古霉素和万古霉素耐药金黄色葡萄球菌、万古霉素耐药粪肠球菌和难辨梭菌引起的感染。制药组合物和治疗这些疾病的方法属于本发明的范围。
• [EN] 5-AMINO-2-CARBONYLTHIOPHENE DERIVATIVES FOR USE AS P38 MAP KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] DERIVES DE 5-AMINO-2-CARBONYLTHIOPHENE UTILISES EN TANT QU'INHIBITEURS DE LA P38 MAP KINASE DANS LE TRAITEMENT DES MALADIES INFLAMMATOIRES
  申请人：ASTEX TECHNOLOGY LTD

  公开号：WO2004089929A1

  公开（公告）日：2004-10-21

  The invention provides the use of a compound for the manufacture of a medicament for the prophylaxis or treatment of a disease state or condition mediated by a p38 MAP kinase; the compound being defined by formula (I): wherein: R1 and R2 are the same or different and each is selected from hydrogen, C1-4 hydrocarbyl, halogen and cyano; X is selected from C=O, C=S, C(=O)NH, C(=S)NH, C(=O)O, C(=O)S, C(=S)O and C(=S)S; R3 is selected from aryl and heteroaryl groups each having from 5 to 12 ring members, the aryl and heteroaryl groups each being unsubstituted or substituted by one or more substituent groups R7 selected from halogen, hydroxy, trifluoromethyl, cyano, nitro, carboxy, amino, carbocyclic and heterocyclic groups having from 3 to 12 ring members; a group Ra-Rb wherein Ra is a bond, 0, CO, X1C(X2), C(X2)X1, X1C(X2)X1, S, SO, SO2, NRc, SO2NRc or NRcSO2; and Rb is selected from hydrogen, carbocyclic and heterocyclic groups having from 3 to 7 ring members, and a C1-8 hydrocarbyl group optionally substituted by one or more substituents selected from hydroxy, oxo, halogen, cyano, nitro, amino, mono- or di-C1-4 hydrocarbylamino, carbocyclic and heterocyclic groups having from 3 to 12 ring members and wherein one or more carbon atoms of the C1-8 hydrocarbyl group may optionally be replaced by 0, S, SO, SO2, NRc, X1C(X2), C(X2)X1 or X1C(X2)X1; X1 is 0, S or NRc and X2 is =0, =S or =NRc; Rc is hydrogen or C1-4 hydrocarbyl; R4 is a group YR5 or a group R6; Y is is NH, 0 or S; R5 is selected from (a) carbocyclic and heterocyclic groups having from 3 to 12 ring members; and (b) C1-8 hydrocarbyl groups optionally substituted by one or more substituents selected from hydroxy, oxo, halogen, cyano, amino, mono- or di- C1-4 hydrocarbylamino, and carbocyclic and heterocyclic groups having from 3 to 12 ring members, wherein one or more carbon atoms of the C1-8 hydrocarbyl group may optionally be replaced by 0, S, SO, SO2, NRc, X1C(X2), C(X2)X1 or X1C(X2)X1, provided that when Y is 0, a carbon atom adjacent to the group Y is not replaced by 0; and R6 is a heterocyclic group having from 4 to 12 ring members and containing at least one ring nitrogen atom through which R6 is linked to the adjacent carbonyl group; wherein the carbocyclic and heterocyclic groups of substituents R5 and R6 are each unsubstituted or substituted by one or more substituent groups R7 as hereinbefore defined. Also provided are novel compounds, pharmaceutical compositions containing the compounds and methods for their preparation.

  本发明提供了一种化合物的用途，用于制备用于预防或治疗由p38 MAP激酶介导的疾病状态或病况的药物；该化合物由以下式（I）定义：其中：R1和R2相同或不同，每个均选择自氢、C1-4烃基、卤素和氰基；X选择自C=O、C=S、C(=O)NH、C(=S)NH、C(=O)O、C(=O)S、C(=S)O和C(=S)S；R3选择自含有5至12个环成员的芳基和杂环芳基，芳基和杂环芳基未取代或通过一个或多个取代基R7取代，所述取代基R7选择自卤素、羟基、三氟甲基、氰基、硝基、羧基、氨基、具有3至12个环成员的碳环和杂环基；一个基团Ra-Rb，其中Ra为键，0，CO，X1C(X2)，C(X2)X1，X1C(X2)X1，S，SO，SO2，NRc，SO2NRc或NRcSO2；Rb选择自氢、具有3至7个环成员的碳环和杂环基，以及一个C1-8烃基，可选地通过一个或多个取代基选择自羟基、酮基、卤素、氰基、硝基、氨基、单或双C1-4烃基氨基、具有3至12个环成员的碳环和杂环基取代，并且C1-8烃基的一个或多个碳原子可选地被0、S、SO、SO2、NRc、X1C(X2)、C(X2)X1或X1C(X2)X1替代；X1为0、S或NRc，X2为=0、=S或=NRc；Rc为氢或C1-4烃基；R4为一个基团YR5或一个基团R6；Y为NH、0或S；R5选择自（a）具有3至12个环成员的碳环和杂环基；和（b）可选地通过一个或多个取代基选择自羟基、酮基、卤素、氰基、氨基、单或双C1-4烃基氨基、具有3至12个环成员的碳环和杂环基取代的C1-8烃基，其中C1-8烃基的一个或多个碳原子可选地被0、S、SO、SO2、NRc、X1C(X2)、C(X2)X1或X1C(X2)X1替代，但是当Y为0时，与基团Y相邻的碳原子不被0替代；R6为具有4至12个环成员的杂环基，并且通过其中一个环氮原子与相邻的羰基连接；取代基R5和R6的碳环和杂环基各自未取代或通过一个或多个取代基R7取代，如前所述。还提供了新的化合物、含有该化合物的制剂以及其制备方法。
• [EN] THIOPHENE AMIDE COMPOUNDS FOR USE IN THE TREATMENT OR PROPHYLAXIS OF CANCERS<br/>[FR] COMPOSES D'AMIDE THIOPHENIQUE DESTINES A ETRE UTILISES DANS LE TRAITEMENT OU LA PROPHYLAXIE DU CANCER
  申请人：ASTEX THERAPEUTICS LTD

  公开号：WO2006040569A1

  公开（公告）日：2006-04-20

  The invention provides the use of a compound for the manufacture of a medicament for the prophylaxis or treatment of a cancer or a para-neoplastic effect associated with a cancer, the para-neoplastic effect being other than cachexia, and the compound being a compound of the formula (I), or a salt, solvate or N-oxide thereof, wherein: R1 and R2 are the same or different and each is selected from hydrogen, C1-4 hydrocarbyl, halogen and cyano; X is selected from C=O, C=S, C(=O)NH, C(=S)NH, C(=O)O, C(=O)S, C(=S)O and C(=S)S; R3 is an aryl or heteroaryl group of 5 to 12 ring members optionally substituted by one or more substituent groups R7 wherein R7 is as defined in the claims; R4 is a group YR5 or a group R6; Y is NH, O or S; R5 is selected from (a) optionally substituted carbocyclic and heterocyclic groups having from 3 to 12 ring members; and (b) optionally substituted C1-8 hydrocarbyl 20 groups; and R6 is an optionally substituted heterocyclic group having from 4 to 12 ring members and containing at least one ring nitrogen atom through which R6 is linked to the adjacent carbonyl group.

  该发明提供了一种化合物的用途，用于制造用于预防或治疗癌症或与癌症相关的癌前病变效应的药物，其中癌前病变效应不包括虚弱症，该化合物为式(I)的化合物，或其盐、溶剂合物或N-氧化物，其中：R1和R2相同或不同，每个均选自氢、C1-4烃基、卤素和氰基；X选自C=O、C=S、C(=O)NH、C(=S)NH、C(=O)O、C(=O)S、C(=S)O和C(=S)S；R3为含有5至12个环成员的芳基或杂芳基，可以选择地被一个或多个取代基R7取代，其中R7如索引中定义；R4为一个基团YR5或一个基团R6；Y为NH、O或S；R5选自(a)从3到12个环成员的可选择取代的碳环和杂环基团；以及(b)可选择取代的C1-8烃基基团；R6为一个含有从4到12个环成员的可选择取代的杂环基团，并且至少包含一个环氮原子，通过该环氮原子，R6与相邻的酰基基团连接。