3-amino-3-(2-fluorophenyl)propan-1-ol | 612532-14-6

• 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-amino-3-(2-fluorophenyl)propan-1-ol
• CAS: 612532-14-6
• 化学式: C₉H₁₂FNO
• 分子量: 169.199
• InChiKey: KPRDDNOUZSPGDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-3-(2-fluorophenyl)propan-1-ol 在 二乙胺基三氟化硫 、 三氧化硫吡啶 、 sodium carbonate 、 二甲基亚砜 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 21.0h， 生成 (±)-2-(3,3-difluoro-1-(2-fluorophenyl)propyl)isoindoline-1,3-dione
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA
  [FR] COMPOSÉS HÉTÉROCYCLIQUES UTILES EN TANT QUE MODULATEURS DU TNF ALPHA

  摘要：

  披露了公式(I)化合物或其盐，其中：A是CR1或N；B是CR3或N；D是CR4或N；L1是-(CR7R7)m-；L2是-(CR7R7)n-；X，Z，R1，R2，R3，R4，R5和R6都在此定义。还披露了将此类化合物用作调节TNFα的调节剂的方法，以及包含此类化合物的药物组合物。这些化合物可用于治疗炎症和自身免疫性疾病。

  公开号：

  WO2017023905A1
• 作为产物：
  描述：

  3-氨基-3-(2-氟苯基)丙酸 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 3-amino-3-(2-fluorophenyl)propan-1-ol
  参考文献：
  名称：

  Structure–activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists

  摘要：

  SAR studies of 1, 3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists resulted in potent compounds. The best compound from the series had a binding affinity of 2 nM. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.038

文献信息

• SUBSTITUTED BIPIPERIDINYL DERIVATIVES
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20160318866A1

  公开（公告）日：2016-11-03

  The invention relates to novel substituted bipiperidinyl derivatives, to processes for their preparation, to their use for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of diabetic microangiopathies, diabetic ulcers on the extremities, in particular for promoting wound healing of diabetic foot ulcers, diabetic heart failure, diabetic coronary microvascular heart disorders, peripheral and cardiac vascular disorders, thromboembolic disorders and ischaemias, peripheral circulatory disturbances, Raynaud's phenomenon, CREST syndrome, microcirculatory disturbances, intermittent claudication, and peripheral and autonomous neuropathies.

  该发明涉及新型取代的双哌啶衍生物，涉及它们的制备方法，涉及它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防糖尿病微血管病变、四肢糖尿病溃疡，特别是促进糖尿病足溃疡愈合、糖尿病心力衰竭、糖尿病冠状微血管心脏疾病、外周和心脏血管疾病、血栓栓塞疾病和缺血、外周循环障碍、雷诺现象、CREST综合征、微循环障碍、间歇性跛行以及外周和自主神经病变的治疗和/或预防。
• [EN] 2-AMINO-7A-PHENYL-3,4,4A,5,7,7A-HEXAHYDROFURO[3,4-B]PYRIDINES AS BACE1 INHIBITORS<br/>[FR] 2-AMINO-7A-PHÉNYL-3,4,4A,5,7,7A-HEXAHYDROFURO[3,4-B]PYRIDINES COMME INHIBITEURS DE BACE1
  申请人：H LUNDBECK AS

  公开号：WO2017025565A1

  公开（公告）日：2017-02-16

  Compounds of the Formula (I) are provided which compounds are inhibitors of BACE1.

  公式（I）的化合物被提供，这些化合物是BACE1的抑制剂。
• Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor
  申请人：Page Naxos Patrick

  公开号：US20050215605A1

  公开（公告）日：2005-09-29

  The present invention is related to thiazolidine carboxamide derivatives of formula (II) for the treatment and/or prophylaxis of preterm labor, premature birth, dysmenorrhea and for stopping labor prior to cesarean delivery. G is selected from the group consisting of C 1 -C 6 -alkyl aryl, C 1 -C 6 -alkyl heteroaryl, C 1 -C 6 Alkyl cycloalkyl, C 1 -C 6 -alkyl heteroaryl, aryl, heteroaryl, C 3 -C 8 -cycloalkyl or -heterocycloalkyl, said cycloalkyl or aryl or hetetoaryl groups may be fused with cycloalkyl or aryl or heteroaryl groups. R 1 is selected from the group consisting of aryl, heteroaryl, C 3 -C 8 -cycloalkyl or -heterocyclo-alkyl, said (hetero)cycloalkyl or aryl or heteroaryl groups may be fused with (hetero)cycloalkyl or aryl or heteroaryl groups. R 2 is selected from the group consisting of H, carboxy, acyl, alkoxycarbonyl, aminocarbonyl, C 1 -C 5 -alkyl carboxy, C 1 -C 5 -alkyl acyl, C 1 -C 5 -alkyl alkoxycarbonyl, C 1 -C 5 -alkyl aminocarbonyl, C 1 -C 5 -alkyl acyloxy, C 1 -C 5 -alkyl acylamino, C 1 -C 5 -alkyl ureido, C 1 -C 5 alkyl amino, C 1 -C 5 -alkyl alkoxy, C 1 -C 5 -alkyl sulfanyl, C 1 -C 5 -alkyl sulfinyl, C 1 -C 5 -alkyl sulfonyl, C 1 -C 5 -alkyl sulfonylamino, C 1 -C 5 -alkyl sulfonyloxy, C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, aryl, heteroaryl, C 3 -C 8 -cycloalkyl, heterocycloalkyl, C 1 -C 6 -alkyl aryl, C 2 -C 6 -alkyl heteroaryl, C 1 -C 6 -alkyl cycloalkyl, C 1 -C 6 -alkyl heterocycloalkyl, C 2 -C 6 -alkenyl aryl, C 2 -C 6 -alkenyl heteroaryl, C 2 -C 6 -alkynyl aryl, or C 2 -C 6 -alkynyl heteroaryl.

  本发明涉及式（II）的噻唑烷羧酰胺衍生物，用于治疗和/或预防早产、早产、痛经以及在剖腹产前停止分娩。其中，G选择自C1-C6烷基芳基，C1-C6烷基杂芳基，C1-C6烷基环烷基，C1-C6烷基杂环烷基，芳基，杂芳基，C3-C8环烷基或-杂环烷基，所述环烷基或芳基或杂芳基基团可以与环烷基或芳基或杂芳基基团融合。R1选择自芳基，杂芳基，C3-C8环烷基或-杂环烷基，所述（杂）环烷基或芳基或杂芳基基团可以与（杂）环烷基或芳基或杂芳基基团融合。R2选择自H，羧基，酰基，烷氧羰基，氨基羰基，C1-C5烷基羧基，C1-C5烷基酰基，C1-C5烷基烷氧羰基，C1-C5烷基氨基羰基，C1-C5烷基酰氧基，C1-C5烷基酰胺基，C1-C5烷基脲基，C1-C5烷基氨基，C1-C5烷基烷氧基，C1-C5烷基硫醇基，C1-C5烷基亚砜基，C1-C5烷基磺酰基，C1-C5烷基磺酰胺基，C1-C5烷基磺酰氧基，C1-C6烷基，C2-C6烯基，C2-C6炔基，芳基，杂芳基，C3-C8环烷基，杂环烷基，C1-C6烷基芳基，C2-C6烷基杂芳基，C1-C6烷基环烷基，C1-C6烷基杂环烷基，C2-C6烯基芳基，C2-C6烯基杂芳基，C2-C6炔基芳基或C2-C6炔基杂芳基。
• THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR
  申请人：PAGE Patrick Naxos

  公开号：US20080255094A1

  公开（公告）日：2008-10-16

  The present invention is related to thiazolidine carboxamide derivatives of formula (II) for the treatment and/or prophylaxis of preterm labor, premature birth, dysmenorrhea and for stopping labor prior to cesarean delivery.

  本发明涉及式（II）的噻唑烷羧酰胺衍生物，用于治疗和/或预防早产、早产、痛经以及在剖腹产前停止分娩。
• BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR
  申请人：Medshine Discovery Inc.

  公开号：EP3782987A1

  公开（公告）日：2021-02-24

  The invention relates to a benzopyrazole compound used as RHO kinase inhibitor, a pharmaceutical composition and uses thereof for preparing an RHO kinase inhibiting drug, and more specifically to said compound of formula (I-1), a pharmaceutically acceptable salt and isomer thereof.

  本发明涉及一种用作 RHO 激酶抑制剂的苯并吡唑化合物、制备 RHO 激酶抑制药物的药物组合物及其用途，更具体地说，涉及所述式（I-1）化合物、其药学上可接受的盐和异构体。