3-hydroxy-2-phenylbutanoic acid | 4374-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-hydroxy-2-phenylbutanoic acid
• 英文别名: threo-3-Hydroxy-2-phenylbuttersaeure；erythro-3-Hydroxy-2-phenylbuttersaeure；3-hydroxy-2-phenyl-butyric acid；3-Hydroxy-2-phenyl-buttersaeure；a-Methyltropic acid
• CAS: 4374-66-7
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: CBSQLIKPLOWPGA-UHFFFAOYSA-N

物化性质

• 熔点：
  136 °C(Solv: ethyl ether (60-29-7); water (7732-18-5))
• 沸点：
  325.5±30.0 °C(Predicted)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-hydroxy-2-phenylbutanoic acid 在 硫酸 作用下， 生成 1-methyl-1,2,3,4-tetrahydro-[2]naphthoic acid
  参考文献：
  名称：

  Julia; Bonnet, Bulletin de la Societe Chimique de France, 1959, p. 419

  摘要：

  DOI：
• 作为产物：
  描述：

  2-苯基乙酰乙酸乙酯 在 sodium hydroxide 、 乙醇 、 铂 作用下， 生成 3-hydroxy-2-phenylbutanoic acid
  参考文献：
  名称：

  Hromatka, Chemische Berichte, 1942, vol. 75, p. 814,819

  摘要：

  DOI：

文献信息

• [EN] PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS<br/>[FR] PYRROLIDINE-PYRAZOLES EN TANT QU'ACTIVATEURS DE LA PYRUVATE KINASE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2021202796A1

  公开（公告）日：2021-10-07

  The subject matter described herein is directed to pyruvate kinase activating compounds of Formula I and pharmaceutical salts thereof, methods of preparing the compounds, pharmaceutical compositions comprising the compounds and methods of administering the compounds for the treatment of diseases associated with PKR and/or PKM2, such as pyruvate kinase deficiency, sickle cell disease, and beta-thalassemia.

  本文描述的主题是针对式I的丙酮酸激酶激活化合物及其药用盐，制备这些化合物的方法，包含这些化合物的药物组合物以及用于治疗与PKR和/或PKM2相关疾病的化合物的给药方法，例如丙酮酸激酶缺乏症、镰状细胞病和β地中海贫血。
• N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators
  申请人：Hanney Barbara

  公开号：US20050277681A1

  公开（公告）日：2005-12-15

  Compounds of structural formula I are modulators of the androgen receptor (AR) in a tissue selective manner. These compounds are useful in the enhancement of weakened muscle tone and the treatment of conditions caused by androgen deficiency or which can be ameliorated by androgen administration, including osteoporosis, osteopenia, glucocorticoid-induced osteoporosis, periodontal disease, bone fracture, bone damage following bone reconstructive surgery, sarcopenia, frailty, aging skin, male hypogonadism, postmenopausal symptoms in women, atherosclerosis, hypercholesterolemia, hyperlipidemia, obesity, aplastic anemia and other hematopoietic disorders, inflammatory arthritis and joint repair, HIV-wasting, prostate cancer, benign prostatic hyperplasia (BPH), abdominal adiposity, metabolic syndrome, type II diabetes, cancer cachexia, Alzheimer's disease, muscular dystrophies, cognitive decline, sexual dysfunction, sleep apnea, depression, premature ovarian failure, and autoimmune disease, alone or in combination with other active agents.

  结构式I的化合物以组织选择性方式调节雄激素受体（AR）。这些化合物对增强肌肉张力和治疗由雄激素缺乏引起或可通过雄激素治疗改善的疾病具有用处，包括骨质疏松症、骨质疏松症、糖皮质激素诱导的骨质疏松症、牙周疾病、骨折、骨重建手术后的骨损伤、肌少症、虚弱、老化皮肤、男性性腺功能减退、女性绝经后症状、动脉粥样硬化、高胆固醇血症、高脂血症、肥胖、再生障碍性贫血和其他造血系统疾病、炎症性关节炎和关节修复、HIV wasting、前列腺癌、良性前列腺增生（BPH）、腹部脂肪过多、代谢综合征、2型糖尿病、癌症恶病质、阿尔茨海默病、肌肉萎缩症、认知下降、性功能障碍、睡眠呼吸暂停、抑郁症、早发性卵巢功能衰竭和自身免疫性疾病等具有治疗作用，可单独使用或与其他活性剂组合使用。
• Ketene bis(trimethylsilyl) acetals. Cross-aldol type condensation reactions with aldehydes and schiff bases
  作者：Jacques-Emile Dubois、Georges Axiotis

  DOI：10.1016/s0040-4039(01)81183-7

  日期：1984.1

  Condensation of the title acetals with aldehydes and Schiff bases in the presence of titanium tetrachloride is reported for the first time. It leads to β-hydroxyacids and to β-lactams via a cross-aldol type reaction, with good yields.

  首次报道了标题缩醛在四氯化钛存在下与醛和席夫碱的缩合。它通过交叉羟醛型反应生成β-羟酸和β-内酰胺，收率很好。
• [EN] PYRROLOPYRROLE COMPOSITIONS AS PYRUVATE KINASE (PKR) ACTIVATORS<br/>[FR] COMPOSITIONS DE PYRROLOPYRROLE EN TANT QU'ACTIVATEURS DE LA PYRUVATE KINASE (PKR)
  申请人：FORMA THERAPEUTICS INC

  公开号：WO2018175474A1

  公开（公告）日：2018-09-27

  The disclosure relates to modulating pyruvate kinase and provides novel chemical compounds of formula (I) useful as activators of PKR, as well as various uses of these compounds. PKR activating compounds are useful in the treatment of diseases and disorders associated with PKR and/or PKM2, such as pyruvate kinase deficiency (PKD), sickle cell disease (SCD), and thalassemia.

  该披露涉及调节丙酮酸激酶，并提供了化学式(I)的新型化合物，可用作PKR的激活剂，以及这些化合物的各种用途。激活PKR的化合物在治疗与PKR和/或PKM2相关的疾病和障碍方面非常有用，如丙酮酸激酶缺乏症（PKD）、镰状细胞病（SCD）和地中海贫血。
• Pyrrolopyrrole compositions as pyruvate kinase (PKR) activators
  申请人：FORMA Therapeutics, Inc.

  公开号：US11014927B2

  公开（公告）日：2021-05-25

  The disclosure relates to modulating pyruvate kinase and provides novel chemical compounds of formula (I) useful as activators of PKR, as well as various uses of these compounds. PKR activating compounds are useful in the treatment of diseases and disorders associated with PKR and/or PKM2, such as pyruvate kinase deficiency (PKD), sickle cell disease (SCD), and thalassemia.

  本公开涉及调节丙酮酸激酶，并提供了可用作 PKR 激活剂的式 (I) 新型化合物，以及这些化合物的各种用途。PKR激活化合物可用于治疗与PKR和/或PKM2相关的疾病和失调，如丙酮酸激酶缺乏症（PKD）、镰状细胞病（SCD）和地中海贫血症。