3,5-di-tert-butyl-1,2,4-thiadiazole | 85516-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-di-tert-butyl-1,2,4-thiadiazole
• 英文别名: 3,5-di-t-butyl-1,2,4-thiadiazole；3,5-Ditert-butyl-1,2,4-thiadiazole
• CAS: 85516-07-0
• 化学式: C₁₀H₁₈N₂S
• 分子量: 198.332
• InChiKey: RUUUHDJSTLAGDR-UHFFFAOYSA-N

物化性质

• 沸点：
  70 °C(Press: 0.998 Torr)
• 密度：
  0.997±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  三甲基乙腈 在 三氯化铝 、 二氯化硫 作用下， 反应 45.0h， 以10%的产率得到3,5-di-tert-butyl-1,2,4-thiadiazole
  参考文献：
  名称：

  二氯化硫与腈在路易斯酸存在下反应生成1,2,4-噻二唑

  摘要：

  发现通过二氯化硫与腈在路易斯酸存在下的反应形成了 3,5-二取代的 1,2,4-噻二唑。例如，3,5-二苯基-1,2,4-噻二唑与其氯化产物3-o-氯苯基-5-苯基-和3-对-氯苯基-5-苯基-1,2,4-以氯化铝为催化剂，由苄腈和二氯化硫制备噻二唑（总产率 80%）。通过使用氯化铁 (III) 作为催化剂或使用氯化硫代替二氯化物来抑制芳环的氯化程度。一些取代的苯甲腈和新戊腈也以较低的产率得到噻二唑。

  DOI：

  10.1246/bcsj.56.180

文献信息

• NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Boléa Christelle

  公开号：US20100144756A1

  公开（公告）日：2010-06-10

  The present invention relates to novel compounds of Formula (I), wherein X 1 , X 2 , X 3 , X 4 , Y 1 , Y 2 , Y 3 , Y 4 , M 1 , M 2 , M 3 , A m and B n are defined as in Formula (I); invention compounds are modulators of metabotropic glutamate receptors—subtype 4 (“mGluR4”) which are useful for the treatment or prevention of central nervous system disorders as well as other disorders modulated by mGluR4 receptors. The invention is also directed to pharmaceutical compositions and the use of such compounds in the manufacture of medicaments, as well as to the use of such compounds for the prevention and treatment of such diseases in which mGluR4 is involved.

  本发明涉及式（I）的新化合物，其中X1、X2、X3、X4、Y1、Y2、Y3、Y4、M1、M2、M3、Am和Bn如式（I）中所定义；该发明化合物是代谢型谷氨酸受体亚型4（“mGluR4”）的调节剂，对于治疗或预防中枢神经系统疾病以及其他受mGluR4受体调节的疾病具有用处。 该发明还涉及制药组合物以及利用这些化合物制造药物的用途，以及利用这些化合物预防和治疗mGluR4参与的疾病的用途。
• Selective androgen receptor modulators
  申请人：Miller Chris P.

  公开号：US20090253758A1

  公开（公告）日：2009-10-08

  This invention provides compounds of formulas I, Ia, Ib, Ic, Id, Ie, and or salts thereof, pharmaceutical compositions comprising a compound of formulas I, Ia, Ib, Ic, Id, Ie, and a pharmaceutically acceptable excipient, methods of modulating the androgen receptor, methods of treating diseases beneficially treated by an androgen receptor modulator (e.g., sarcopenia, prostate cancer, contraception, type 2 diabetes related disorders or diseases, anemia, depression, and renal disease) and processes for making compounds of formulas I, Ia, Ib, Ic, Id, Ie, and intermediates useful in the preparation of same.

  本发明提供了公式I、Ia、Ib、Ic、Id、Ie的化合物，以及它们的盐，包含这些化合物的药物组合物和药用辅料，调节雄激素受体方法，治疗可受益于雄激素受体调节剂（例如，肌肉减少症、前列腺癌、避孕、2型糖尿病相关疾病或病症、贫血、抑郁和肾脏疾病）的疾病的方法，以及制造公式I、Ia、Ib、Ic、Id、Ie的化合物和用于制备这些化合物的中间体的过程。
• SUBSTITUTED BENAMIDINES AS ANTIBACTERIAL AGENTS
  申请人：Haydon David John

  公开号：US20100298388A1

  公开（公告）日：2010-11-25

  Compounds of formula (IA) or (IB) have antibacterial activity: wherein W is ═C(H)— or ═N—; R 3 is a radical of formula -(Alk 1 ) m -(Z 1 ) p -(Alk 2 ) n -Q wherein m, p and n are independently 0 or 1, provided that at least one of m, p and n is 1 , Z1 is —O—, —S—, —S(O)—, —S(O 2 )—, —NH—, —N(CH 3 )—, —N(CH 2 CH 3 )—, —C(—O)—, —O—(C═O)—, —C(═O)—O—, or an optionally substituted divalent monocyclic carbocyclic or heterocyclic radical having 3 to 6 ring atoms; or an optionally substituted divalent bicyclic carbocyclic or heterocyclic radical having 5 to 10 ring atoms; Alk 1 and Alk 2 are optionally substituted C 1 -C 6 alkylene, C 2 -C 6 alkenylene, or C 2 -C 6 alkynylene radicals, which may optionally terminate with or be interrupted by —O—, —S—, —S(O)—, —S(O 2 )—, —NH—, —N(CH 3 )—, Or —N(CH 2 CH 3 )—; and Q is hydrogen, halogen, nitrile, or hydroxyl, or an optionally substituted monocyclic carbocyclic or heterocyclic radical having 3 to 6 ring atoms; or an optionally substituted bicyclic carbocyclic or heterocyclic radical having 5 to 10 ring atoms; R 4 and R 5 are optional substituents; and R 2 , R 6 and R 7 are independently hydrogen or a radical of formula -(Alk 3 ) x -(Z 2 )y-(Alk 4 ) z -H wherein x, y and z are independently 0 or 1, Z 2 is —O—, —S—, —S(O)—, —S(O 2 )—, —NH—, —N(CH 3 )—, —N(CH 2 CH 3 )—, —C(—O)—, —O—(C═O)— or —C(═O)—O—; Alk 3 and Alk 4 are optionally substituted C 1 -C 3 alkylene, C 2 -C 3 alkenylene, or C 2 -C 3 alkynylene radicals, which may optionally terminate with or be interrupted by —O—, —S—, —S(O)—, —S(O 2 )—, —NH—, —N(CH 3 )—, or —N(CH 2 CH 3 )—.

  化合物的结构式（IA）或（IB）具有抗菌活性：其中W为 ═C(H)— 或 ═N—；R3为具有以下结构的基团 -(Alk1)m-(Z1)p-(Alk2)n-Q，其中m、p和n独立地为0或1，但至少m、p和n中的一个为1，Z1为—O—、—S—、—S(O)—、—S(O2)—、—NH—、—N(CH3)—、—N(CH2CH3)—、—C(—O)—、—O—(C═O)—、—C(═O)—O—，或者具有3至6个环原子的可选择取代的一元环碳环或杂环基团；或者具有5至10个环原子的可选择取代的二元环碳环或杂环基团；Alk1和Alk2为可选择取代的C1-C6烷基、C2-C6烯基或C2-C6炔基基团，可能以—O—、—S—、—S(O)—、—S(O2)—、—NH—、—N(CH3)—、或—N(CH2CH3)—终止或中断；Q为氢、卤素、腈基或羟基，或者具有3至6个环原子的可选择取代的一元环碳环或杂环基团；或者具有5至10个环原子的可选择取代的二元环碳环或杂环基团；R4和R5为可选取代基团；R2、R6和R7独立地为氢或具有以下结构的基团 -(Alk3)x-(Z2)y-(Alk4)z-H，其中x、y和z独立地为0或1，Z2为—O—、—S—、—S(O)—、—S(O2)—、—NH—、—N(CH3)—、—N(CH2CH3)—、—C(—O)—、—O—(C═O)—或—C(═O)—O—；Alk3和Alk4为可选择取代的C1-C3烷基、C2-C3烯基或C2-C3炔基基团，可能以—O—、—S—、—S(O)—、—S(O2)—、—NH—、—N(CH3)—或—N(CH2CH3)—终止或中断。
• Heterocyclic Compounds and Methods of Use
  申请人：Medivation Technologies LLC

  公开号：US20180051013A1

  公开（公告）日：2018-02-22

  This disclosure provides compounds and methods of using those compounds to treat metabolic disorders and hyperproliferative disorders, including administration of the compounds in conjunction with hormone receptor antagonists.

  这份披露提供了化合物和使用这些化合物治疗代谢性疾病和增生性疾病的方法，包括与激素受体拮抗剂一起给予这些化合物的方法。
• Compounds Which Selectively Modulate The CB2 Receptor
  申请人：BARTOLOZZI Alessandra

  公开号：US20100076029A1

  公开（公告）日：2010-03-25

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式（I）的化合物已被披露。根据本发明的化合物与CB2受体结合，并且是CB2受体的激动剂、拮抗剂或反向激动剂，可用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。