3-叔丁基-1,2,4-噻二唑-5-胺 | 13383-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-叔丁基-1,2,4-噻二唑-5-胺
• 英文名称: 3-(tert-butyl)-1,2,4-thiadiazol-5-amine
• 英文别名: 3-tert-butyl-1,2,4-thiadiazol-5-amine
• CAS: 13383-44-3
• 化学式: C₆H₁₁N₃S
• mdl: MFCD09865006
• 分子量: 157.239
• InChiKey: QKMOPVJLRQVWKD-UHFFFAOYSA-N

物化性质

• 沸点：
  272.3±23.0 °C(Predicted)
• 密度：
  1.170±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.666
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  N-甲基哌嗪 、 3-叔丁基-1,2,4-噻二唑-5-胺 以 neat (no solvent) 为溶剂， 以43 %的产率得到tert-butyl (3-(4-methylpiperazin-1-yl)-1,2,4-thiadiazol-5-yl)carbamate
  参考文献：
  名称：

  WO2023/10051

  摘要：

  公开号：

文献信息

• [EN] 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS<br/>[FR] DÉRIVÉS D'AZÉTIDINE OU DE CYCLOBUTANE 1,3-DISUBSTITUÉS UTILISÉS COMME INHIBITEURS DE LA PROSTAGLANDINE D SYNTHASE HÉMATOPOÏÉTIQUE (H-PGDS)
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018069863A1

  公开（公告）日：2018-04-19

  A compound of formula (I), wherein R, R1, R2, R3, Y, Y1, a, X, and Z are as defined herein. The compounds of the present invention are inhibitors of hematopoietic prostaglandin D synthase (H-PGDS) and can be useful in the treatment of Duchenne Muscular Dystrophy. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting H-PGDS activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  式（I）的化合物，其中R、R1、R2、R3、Y、Y1、a、X和Z的定义如本文所述。本发明的化合物是造血前列腺素D合成酶（H-PGDS）的抑制剂，可用于治疗杜兴氏肌肉萎缩症。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制H-PGDS活性和治疗相关疾病的方法。
• Substituted 5-amino-1,2,4-thiadiazoles with pharmaceutical activity
  申请人：LILLY INDUSTRIES LIMITED

  公开号：EP0455356A1

  公开（公告）日：1991-11-06

  Pharmaceutical compounds of the following formula are described: in which R¹ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy-C₁₋₄ alkyl, hydroxy-C₁₋₄ alkyl, optionally substituted phenyl, optionally substituted phenyl-C₁₋₄ alkyl or a heterocycle selected from: where R³ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy, nitro, halo, cyano, trifluoromethyl, carboxyl or -CONH₂, and R⁴ is C₁₋₄ alkyl; and R² is hydrogen, C₁₋₄ alkyl, phenyl or thienyl substituted with a carboxyl or C₁₋₄ alkoxy-carbonyl group, an acyl group of the formula R⁵CO- where R⁵ is hydrogen, C₁₋₄ alkyl, C₁₋₄ alkoxy-C₁₋₄ alkyl, halo C₁₋₄ alkyl, C₁₋₄ alkoxy, halo-C₁₋₄ alkoxy, phenyl, phenyl-C₁₋₄ alkyl, -NHC₁₋₄ alkyl, -NH phenyl or where R⁶ is C₁₋₄ alkyl, or a group of the formula -CH=C(COC₁₋₄ alkoxy)₂; or a salt thereof.

  以下是描述的具有以下结构的药物化合物： 其中R¹为氢、C₁₋₄烷基、C₁₋₄烷氧基-C₁₋₄烷基、羟基-C₁₋₄烷基、可选择取代的苯基、可选择取代的苯基-C₁₋₄烷基或从以下选取的杂环： 其中R³为氢、C₁₋₄烷基、C₁₋₄烷氧基、硝基、卤素、氰基、三氟甲基、羧基或-CONH₂，R⁴为C₁₋₄烷基；而R²为氢、C₁₋₄烷基、苯基或经羧基或C₁₋₄烷氧基羰基取代的噻吩基，具有R⁵CO-式的酰基，其中R⁵为氢、C₁₋₄烷基、C₁₋₄烷氧基-C₁₋₄烷基、卤素C₁₋₄烷基、C₁₋₄烷氧基、卤素-C₁₋₄烷氧基、苯基、苯基-C₁₋₄烷基、-NHC₁₋₄烷基、-NH苯基或 其中R⁶为C₁₋₄烷基，或具有-CH=C(COC₁₋₄烷氧基)₂式的基团；或其盐。
• Inhibitors of NEK7 kinase
  申请人：Halia Therapeutics, Inc.

  公开号：US11161852B1

  公开（公告）日：2021-11-02

  Compounds having activity as inhibitors of NEK7 are provided. The compounds have Structure (I): or a pharmaceutically acceptable salt, stereoisomer or prodrug thereof, wherein, A, X, Y, R1, R2, R3, R4 and R5 are as defined herein. Methods associated with preparation and use of such compounds, pharmaceutical compositions comprising such compounds and methods to modulate the activity of the NLRP3 inflammasome are also provided.

  提供具有作为NEK7抑制剂活性的化合物。这些化合物具有结构（I）：或其药用可接受的盐、立体异构体或前药，其中，A、X、Y、R1、R2、R3、R4和R5如本文所定义。还提供了与制备和使用这些化合物相关的方法，包括含有这些化合物的药物组合物以及调节NLRP3炎症小体活性的方法。
• [EN] PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF<br/>[FR] DÉRIVATIFS DE PYRIDINESULFONAMIDE POUVANT ÊTRE UTILISÉS COMME MODULATEURS TRAP1 ET LEURS UTILISATIONS
  申请人：AMATHUS THERAPEUTICS INC

  公开号：WO2021188907A1

  公开（公告）日：2021-09-23

  The present disclosure provides compounds of Formula (I): and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled compounds, and prodrugs thereof. The provided compounds may be tumor necrosis factor ("TNF") receptor associated protein 1 ("TRAP1") modulators (e.g., TRAP1 activators). The provided compounds may also rescue the activity in PTEN-induced kinase 1 ("PINK1") loss of function contexts. The provided compounds may also improve mitochondrial health, function, quality, quantity, and/or activity, and/or reduce the production of reactive oxygen species. The provided compounds may also refold or solubilize aggregated or misfolded proteins such as a-synuclein. The present disclosure also provides pharmaceutical compositions comprising the provided compounds; kits comprising the provided compounds or pharmaceutical compositions; and methods of using the provided compounds and pharmaceutical compositions (e.g., for treating a disease in a subject in need thereof).

  本公开提供了化合物的化学式（I）和药学上可接受的盐、溶剂化合物、水合物、多晶型、共晶体、互变异构体、立体异构体、同位素标记化合物以及其前药。所提供的化合物可能是肿瘤坏死因子（"TNF"）受体相关蛋白1（"TRAP1"）调节剂（例如，TRAP1激活剂）。所提供的化合物还可能恢复PTEN诱导的激酶1（"PINK1"）功能丧失情况下的活性。所提供的化合物还可能改善线粒体的健康、功能、质量、数量和/或活性，和/或减少活性氧自由基的产生。所提供的化合物还可能对聚集或错误折叠的蛋白质（如α-突触核蛋白）进行重折叠或溶解。本公开还提供了包括所提供化合物的药物组合物；包括所提供化合物或药物组合物的试剂盒；以及使用所提供的化合物和药物组合物的方法（例如，用于治疗需要的受试者的疾病）。
• Fungicide Hydroximoyl-Tetrazole Derivatives
  申请人：Christian Isabelle

  公开号：US20090258875A1

  公开（公告）日：2009-10-15

  The present invention relates to hydroximoyl-tetrazole derivatives of formula (I) wherein T represent a tetrazolyl substituents, A represents a carbo- or heterocycle, L 1 and L 2 represent various linking groups and Q represents a carbocycle, their process of preparation, their use as fungicide active agents, particularly in the form of fungicide compositions, and methods for the control of phytopathogenic fungi, notably of plants, using these compounds or compositions.

  本发明涉及公式（I）中的羟肟基-四唑衍生物，其中T代表四唑基取代基，A代表碳基或杂环基，L1和L2代表不同的连接基，Q代表碳环基，以及它们的制备方法，它们作为杀真菌活性剂的用途，特别是作为杀真菌剂组合物的形式，以及使用这些化合物或组合物控制植物病原真菌，尤其是植物的方法。