(S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-biphenyl-2-carbonyl]-amino}-4-methylsulfanyl-butyric acid | 170006-72-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-{[5-((R)-2-Amino-3-mercapto-propylamino)-biphenyl-2-carbonyl]-amino}-4-methylsulfanyl-butyric acid
• 英文别名: FTI-276；(2S)-2-[[4-[[(2R)-2-azaniumyl-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate
• CAS: 170006-72-1
• 化学式: C₂₁H₂₇N₃O₃S₂
• 分子量: 433.596
• InChiKey: ZIXDDEATQSBHHL-BEFAXECRSA-N

物化性质

• 沸点：
  715.6±60.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)
• 溶解度：
  H2O: >5 mg/mL, 可溶

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  131
• 氢给体数：
  5
• 氢受体数：
  7

制备方法与用途

生物活性

FTI-276 是一种有效的蛋白远烯酰基转移酶 (PFT) 抑制剂，对恶性疟原虫和人类的 IC50 值分别为 0.9 nM 和 0.5 nM。

靶点

IC50: 0.9 nM 和 0.5 nM 分别对应恶性疟原虫 (Plasmodium falciparum) 和人类。

文献信息

• [EN] INHIBITORS OF PRENYL TRANSFERASES<br/>[FR] INHIBITEURS DES PRENYLE TRANSFERASES
  申请人：UNIVERSITY OF PITTSBURGH

  公开号：WO1996021456A1

  公开（公告）日：1996-07-18

  (EN) Compounds which inhibit prenyl transferases, particularly farnysyltransferase and geranylgeranyl transferase I, processes for preparing the compounds, pharmaceutical compositions containing the compounds, and methods of use.(FR) L'invention a pour objet des composés inhibiteurs des prényle transférases, particulièrement, des farnysyltransférases et des géranylgéranyle transférases I. L'invention traite également de procédés de préparations de ces composés, de compositions pharmaceutiques contenant ces composés et de leurs procédés d'utilisation.

  (EN) 抑制戊二烯转移酶，尤其是戊二烯基转移酶和戊二烯基转移酶I的化合物，制备这些化合物的方法，包含这些化合物的制药组合物以及使用方法。 (FR) 本发明涉及抑制戊二烯转移酶的化合物，尤其是戊二烯基转移酶和戊二烯基转移酶I的化合物，制备这些化合物的方法，包含这些化合物的制药组合物以及使用方法。
• PROPHYLACTIC AND THERAPEUTIC AGENT FOR CANCER
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2025347A1

  公开（公告）日：2009-02-18

  A Ras, Raf, MEK, ERK or RSK inhibitor, namely a P-glycoprotein expression inhibitor or a BCRP expression inhibitor, can be screened by utilizing the MAPK signaling activity as an indicator. It becomes possible to provide an anticancer agent which is reduced in resistance acquisition, and also provide an agent for preventing the resistance against an anticancer agent, which can enhance the therapeutic effect of the anticancer agent against cancer.

  利用 MAPK 信号活性作为指标，可以筛选出 Ras、Raf、MEK、ERK 或 RSK 抑制剂，即 P 糖蛋白表达抑制剂或 BCRP 表达抑制剂。这样就有可能提供一种减少抗药性产生的抗癌剂，还可以提供一种防止抗癌剂产生抗药性的药剂，从而提高抗癌剂对癌症的治疗效果。
• Prophylactic and Therapeutic Agent for Cancer
  申请人：Sugimoto Yoshikazu

  公开号：US20090239936A1

  公开（公告）日：2009-09-24

  A Ras, Raf, MEK, ERK or RSK inhibitor, namely a P-glycoprotein expression inhibitor or a BCRP expression inhibitor, can be screened by utilizing the MAPK signaling activity as an indicator. It becomes possible to provide an anticancer agent which is reduced in resistance acquisition, and also provide an agent for preventing the resistance against an anticancer agent, which can enhance the therapeutic effect of the anticancer agent against cancer.
• Methods of Treating Seizure Disorders
  申请人：Massachusetts Institute of Technology

  公开号：US20130225671A1

  公开（公告）日：2013-08-29

  Seizure disorders are treated by Ras inhibitors. In an embodiment, the Ras inhibitor includes a farnesyl transferase inhibitor. In another embodiment, the farnesyl transferase inhibitor includes a 3-hydroxy-3-methylglutaryl-Coenzyme A reductase inhibitor. In another embodiment, the 3-hydroxy-3-methylglutaryl-Coenzyme A reductase inhibitor is not a Ras inhibitor. Subjects having fragile X syndrome, autism, Angelman syndrome, Costello syndrome, cardio facio cutaneous syndrome, neurofibromatosis type I, Noonan syndrome and Coffin-Lowry syndrome that have seizure disorders can be treated.
• COMPOSITION AND METHOD FOR TREATING CANCER
  申请人：CELLWORKS GROUP, INC.

  公开号：US20160058751A1

  公开（公告）日：2016-03-03

  The present disclosure relates to a pharmaceutical composition and a kit to treat cancer. The disclosure provides a combination of compounds for use in the treatment of cancer. The disclosure further provides a process of preparing the composition and a method of treating a cancer associated with a RAS mutation or a RAS mutation along with any other mutation.