1,2-cyclobutanediol | 100130-45-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,2-cyclobutanediol
• 英文别名: cyclobutane-cis-1,2-diol；Cyclobutane-1,2-diol
• CAS: 100130-45-8
• 化学式: C₄H₈O₂
• 分子量: 88.1063
• InChiKey: MHPMXFUDCYMCOE-UHFFFAOYSA-N

物化性质

• 沸点：
  220.1±8.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• 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：

  1,2-cyclobutanediol 在 三氟化硼丁醚络合物 作用下， 生成 环丙甲醛
  参考文献：
  名称：

  CYCLOPROPANECARBOXALDEHYDE

  摘要：

  DOI：

  10.15227/orgsyn.060.0025
• 作为产物：
  描述：

  2-羟基环丁酮 在 葡萄糖 、 β-烟酰胺腺嘌呤二核苷酸 作用下， 反应 16.0h， 生成 1,2-cyclobutanediol
  参考文献：
  名称：

  Preparation of optically active 1,2-diols and .alpha.-hydroxy ketones using glycerol dehydrogenase as catalyst. Limits to enzyme-catalyzed synthesis due to noncompetitive and mixed inhibition by product

  摘要：

  DOI：

  10.1021/jo00351a005

文献信息

• 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF
  申请人：Genentech, Inc.

  公开号：US20200108075A1

  公开（公告）日：2020-04-09

  3-Carbonylamino-8-aminoisoquinoline compounds of formula (I): variations thereof, and their use as inhibitors of HPK1 (hematopoietic kinase 1) are described. The compounds are useful in treating HPK1-dependent disorders and enhancing an immune response. Also described are methods of inhibiting HPK1, methods of treating HPK1-dependent disorders, methods for enhancing an immune response, and methods for preparing the 3-carbonylamino-8-aminoisoquinoline compounds.

  公式（I）的3-羰基氨基异喹啉化合物及其变体，以及它们作为HPK1（造血激酶1）抑制剂的用途被描述。这些化合物在治疗HPK1依赖性疾病和增强免疫应答方面是有用的。还描述了抑制HPK1的方法，治疗HPK1依赖性疾病的方法，增强免疫应答的方法，以及制备3-羰基氨基异喹啉化合物的方法。
• 1,2-Halohydrincarboxylic acid esters and a process for their preparation
  申请人：Bayer Aktiengesellschaft

  公开号：US04252738A1

  公开（公告）日：1981-02-24

  1,2-Halohydrincarboxylic acid esters of the formula ##STR1## wherein R.sup.1, R.sup.2, R.sup.3, and R.sup.4 are identical or different and represent hydrogen, cyano and optionally substituted alkyl, alkenyl, aralkyl, aryl, alkoxycarbonyl, acyloxy, alkoxy and aryloxy, and furthermore R.sup.1 and R.sup.2 and/or R.sup.3 and R.sup.4, or R.sup.1 and R.sup.3 and/or R.sup.2 and R.sup.4 can be linked, forming a ring with the carbon atoms to which they are bonded; R.sup.5 represents hydrogen and optionally substituted alkyl, alkenyl, aralkyl, aryl, alkoxy and alkoxycarbonyl and X represents fluorine, chlorine, bromine and iodine; a process for preparing such 1,2-halohydrincarboxylic acid esters by reacting a cyclobutane-cis-1,2-diol of the formula ##STR2## with an orthoester of the formula ##STR3## wherein R.sup.1 -R.sup.5 have the previously ascribed significance and R.sup.6 -R.sup.8 are identical or different and represent optionally substituted alkyl, alkenyl, aralkyl and aryl, (or a ketene-acetal corresponding thereto) to give a 1,3-dioxolane and reacting the resultant 1,3-dioxolane with a halogenosilane or an acid halide. Also disclosed is a process for preparing compounds of the formula ##STR4## by contacting a 1,2-halohydrin ester of the formula given above with a base suitably at a temperature of 20.degree. to 150.degree. C.

  公式为##STR1##的1,2-卤水合羧酸酯，其中R.sup.1、R.sup.2、R.sup.3和R.sup.4相同或不同，代表氢、氰基和可选择取代的烷基、烯基、芳基烷基、芳基、烷氧羰基、酰氧基、烷氧基和芳氧基，此外R.sup.1和R.sup.2和/或R.sup.3和R.sup.4，或R.sup.1和R.sup.3和/或R.sup.2和R.sup.4可以连接，形成与它们结合的碳原子形成环；R.sup.5代表氢和可选择取代的烷基、烯基、芳基烷基、芳基、烷氧基和烷氧羰基，X代表氟、氯、溴和碘；通过将上述公式为##STR2##的环丁烷顺-1,2-二醇与上述公式为##STR3##的正酯发生反应来制备这种1,2-卤水合羧酸酯的方法，其中R.sup.1-R.sup.5具有先前所述的意义，R.sup.6-R.sup.8相同或不同，代表可选择取代的烷基、烯基、芳基烷基和芳基（或相应的酮醛缩合物），以得到1,3-二氧杂环戊烷，并将所得的1,3-二氧杂环戊烷与卤代硅烷或酸卤发生反应。还公开了一种通过将上述给定公式的1,2-卤水合酯与适当的碱在20°C至150°C的温度下接触来制备##STR4##的化合物的方法。
• Cyclic 1,2-diol benzyl ether compounds
  申请人：Bayer Aktiengesellschaft

  公开号：US04282388A1

  公开（公告）日：1981-08-04

  Novel benzyl ethers of cyclic 1,1-diols, of the formula ##STR1## wherein R.sup.1 is phenyl or substituted phenyl, R.sup.2 is hydrogen, alkyl, alkenyl, alkynyl, haloalkyl or --CHX--R.sup.1, X is hydrogen, alkyl, alkenyl, alkynyl, haloalkyl, phenyl or substituted phenyl, Y and Y' are individually selected from hydrogen, alkyl, phenyl and substituted phenyl and A is saturated or unsaturated alkylene or substituted alkylene; have been found outstandingly effective as herbicides, particularly as selective herbicides.

  环状1,1-二醇的新型苄基醚，化学式为##STR1##其中R.sup.1为苯基或取代苯基，R.sup.2为氢、烷基、烯基、炔基、卤代烷基或--CHX--R.sup.1，X为氢、烷基、烯基、炔基、卤代烷基、苯基或取代苯基，Y和Y'分别选自氢、烷基、苯基和取代苯基，A为饱和或不饱和的烷基或取代烷基；发现这些化合物在除草剂中具有出色的效果，尤其作为选择性除草剂。
• [EN] INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12)<br/>[FR] INHIBITEURS DE LA KINASE 12 DÉPENDANTE DE LA CYCLINE (CDK12)
  申请人：SYROS PHARMACEUTICALS INC

  公开号：WO2023091726A1

  公开（公告）日：2023-05-25

  The present invention provides chemical compounds that inhibit one or more families of kinases (e.g., serine/threonine kinases, including one or more of the families of CDK proteins, and in particular, CDK12). More specifically, the present invention provides CDK12 inhibitors, of formula (I), pharmaceutically acceptable salts and isotopically labeled derivatives thereof, pharmaceutical compositions containing the compounds/inhibitors, and methods of their synthesis and use in treating proliferative diseases (e.g., a bladder cancer, a breast cancer, Ewing's sarcoma, a gastric cancer, a gastrointestinal cancer, a hematologic cancer, a lung cancer (e.g., small cell lung cancer (SCLC)), an ovarian cancer (e.g., a high grade serous ovarian cancer), a pancreatic cancer (e.g., pancreatic ductal adenocarcinoma (PDAC)), a brain cancer (e.g., glioblastoma), or a prostate cancer), alone or in combination with a second therapeutic agent. The proliferative disease can be a cancer, benign neoplasm, or pathologic angiogenesis, and any of the therapeutic methods or uses described herein can include a step of diagnosing the patient's disease. In other embodiments of the invention, the compositions described herein (e.g., the compounds, pharmaceutical compositions, and kits containing them) are used for the treatment of myotonic dystrophy (type 1 or type 2).

  本发明提供了抑制一个或多个激酶家族（如丝氨酸/苏氨酸激酶，包括一个或多个CDK蛋白家族，特别是CDK12）的化合物。更具体地说，本发明提供了式 (I) 的 CDK12 抑制剂、其药学上可接受的盐和同位素标记的衍生物、含有该化合物/抑制剂的药物组合物，以及它们的合成方法和用于治疗增殖性疾病（如、膀胱癌、乳腺癌、尤文氏肉瘤、胃癌、胃肠道癌、血癌、肺癌（如小细胞肺癌 (SCLC)）、卵巢癌（如、胰腺癌（如胰腺导管腺癌 (PDAC)）、脑癌（如胶质母细胞瘤）或前列腺癌）。增殖性疾病可以是癌症、良性肿瘤或病理性血管生成，本文所述的任何治疗方法或用途都可以包括诊断患者疾病的步骤。在本发明的其他实施方案中，本文所述的组合物（如化合物、药物组合物和含有它们的试剂盒）用于治疗肌营养不良症（1 型或 2 型）。
• LEE, L. G.;WHITESIDES, G. M., J. ORG. CHEM., 1986, 51, N 1, 25-36
  作者：LEE, L. G.、WHITESIDES, G. M.

  DOI：——

  日期：——