2,9-Dioxa-6-azaspiro[4.5]decane | 1251712-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 2,9-Dioxa-6-azaspiro[4.5]decane
• CAS: 1251712-84-1
• 化学式: C₇H₁₃NO₂
• mdl: MFCD26407537
• 分子量: 143.18
• InChiKey: MJKDEJXBYUDHCR-UHFFFAOYSA-N

物化性质

• 沸点：
  247.5±25.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• [EN] MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE<br/>[FR] MONOBACTAMES ET PROCÉDÉS DE SYNTHÈSE ET D'UTILISATION DE CES DERNIERS
  申请人：HARVARD COLLEGE

  公开号：WO2015103583A1

  公开（公告）日：2015-07-09

  Described herein are monobactam antibiotics of Formula (I), (Ι'), (II), and (II'), along with methods and intermediates for preparing these compounds. Pharmaceutical compositions and methods of treating infectious diseases using the monobactams are also provided.

  本文描述了单环内酰胺抗生素的化学式(I)、(Ι')、(II)和(II')，以及制备这些化合物的方法和中间体。还提供了使用单环内酰胺治疗传染病的药物组合物和方法。
• [EN] SOS1 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE SOS1 ET LEURS UTILISATIONS
  申请人：REVOLUTION MEDICINES INC

  公开号：WO2022146698A1

  公开（公告）日：2022-07-07

  The present disclosure is directed to modulators of SOS1 and their use in the treatment of disease. Also disclosed are pharmaceutical compositions comprising the same.

  本公开涉及SOS1的调节剂及其在疾病治疗中的应用。还公开了包含这些调节剂的药物组合物。
• Treatment of skin lesions
  申请人：PIQUR THERAPEUTICS AG

  公开号：US10993947B2

  公开（公告）日：2021-05-04

  The present invention is relates to a compound of formula (I), wherein X1, X2 and X3 are, independently of each other, N or CH; with the proviso that at least two of X1, X2 and X3 are N; Y is N or CH; W is H or F; with the proviso that when W is F, then X1, X2 and X3 are N; R1 and R2 are independently of each other (i) a morpholinyl of formula (II) wherein the arrow denotes the bond in formula (I); and wherein R3 and R4 are independently of each other H, C1-C3alkyl optionally substituted with one or two OH, C1-C2fluoroalkyl, C1-C2alkoxy, C1-C2alkoxyC1-C3alkyl, CN, or C(O)O—C1-C2alkyl; or R3 and R4 form together a bivalent residue —R5R6— selected from C1-C3alkylene optionally substituted with 1 to 4 F, —CH2—O—CH2—, —CH2—NH—CH2—, or any of the structures wherein the arrows denote the bonds in formula (II); or (ii) a saturated 6-membered heterocyclic ring Z selected from thiomorpholinyl and piperazinyl, optionally substituted by 1 to 3 R7; wherein R7 is independently at each occurrence C1-C3alkyl optionally substituted with one or two OH, C1-C2fluoroalkyl, C1-C2alkoxyC1-C3alkyl, C3-C6cycloalkyl; or two R7 substituents form together a bivalent residue —R8R9— selected from C1-C3alkylene optionally substituted with 1 to 4 F, —CH2—O—CH2— or —O—CH2CH2—O—; with the proviso that at least one of R1 and R2 is a morpholinyl of formula II; and prodrugs, metabolites, tautomers, solvates and pharmaceutically acceptable salts thereof, for use in the prevention or treatment of a skin lesion in a subject.

  本发明涉及一种式 (I) 的化合物、 其中 X1、X2 和 X3 相互独立地是 N 或 CH；但条件是 X1、X2 和 X3 中至少有两个是 N； Y 是 N 或 CH W 是 H 或 F；但当 W 是 F 时，X1、X2 和 X3 是 N； R1 和 R2 相互独立 (i) 式（II）的吗啉基 其中箭头表示式（I）中的键；以及 其中 R3 和 R4 相互独立地为 H、任选被一个或两个 OH、C1-C2-氟烷基、C1-C2-烷氧基、C1-C2-烷氧基 C1-C3烷基、CN 或 C(O)O-C1-C2烷基取代的 C1-C3 烷基；或 R3 和 R4 共同形成选自任选被 1 至 4 个 F、-CH2-O- -、- -NH- -或任何结构取代的 C1-C3 烷烯的二价残基-R5R6-。 其中箭头表示式（II）中的键；或 (ii) 选自硫代吗啉基和哌嗪基的饱和 6 元杂环 Z，任选被 1 至 3 个 R7 取代；其中 R7 在每次出现时均独立地为任选被一个或两个 OH、C1-C2 氟烷基、C1-C2 烷氧基 C1-C3 烷基、C3-C6 环烷基取代的 C1-C3 烷基；或两个 R7 取代基共同形成二价残基-R8R9-，该残基选自任选被 1 至 4 个 F、- -O- -或 -O- -O-取代的 C1-C3 烷基； 但 R1 和 R2 中至少有一个是式 II 的吗啉基； 及其原药、代谢物、同系物、溶剂和药学上可接受的盐，用于预防或治疗受试者的皮肤损伤。
• MONOBACTAMS AND METHODS OF THEIR SYNTHESIS AND USE
  申请人：PRESIDENT AND FELLOWS OF HARVARD COLLEGE

  公开号：US20160326157A1

  公开（公告）日：2016-11-10

  Described herein are monobactam antibiotics of Formula (I), (I′), (II), and (II′), along with methods and intermediates for preparing these compounds. Pharmaceutical compositions and methods of treating infectious diseases using the monobactams are also provided.
• TREATMENT OF SKIN LESIONS
  申请人：PIQUR THERAPEUTICS AG

  公开号：US20190290653A1

  公开（公告）日：2019-09-26

  The present invention is relates to a compound of formula (I), wherein X 1 , X 2 and X 3 are, independently of each other, N or CH; with the proviso that at least two of X 1 , X 2 and X 3 are N; Y is N or CH; W is H or F; with the proviso that when W is F, then X 1 , X 2 and X 3 are N; R 1 and R 2 are independently of each other (i) a morpholinyl of formula (II) wherein the arrow denotes the bond in formula (I); and wherein R 3 and R 4 are independently of each other H, C 1 -C 3 alkyl optionally substituted with one or two OH, C 1 -C 2 fluoroalkyl, C 1 -C 2 alkoxy, C 1 -C 2 alkoxyC 1 -C 3 alkyl, CN, or C(O)O—C 1 -C 2 alkyl; or R 3 and R 4 form together a bivalent residue —R 5 R 6 — selected from C 1 -C 3 alkylene optionally substituted with 1 to 4 F, —CH 2 —O—CH 2 —, —CH 2 —NH—CH 2 —, or any of the structures wherein the arrows denote the bonds in formula (II); or (ii) a saturated 6-membered heterocyclic ring Z selected from thiomorpholinyl and piperazinyl, optionally substituted by 1 to 3 R 7 ; wherein R 7 is independently at each occurrence C 1 -C 3 alkyl optionally substituted with one or two OH, C 1 -C 2 fluoroalkyl, C 1 -C 2 alkoxyC 1 -C 3 alkyl, C 3 -C 6 cycloalkyl; or two R 7 substituents form together a bivalent residue —R 8 R 9 — selected from C 1 -C 3 alkylene optionally substituted with 1 to 4 F, —CH 2 —O—CH 2 — or —O—CH 2 CH 2 —O—; with the proviso that at least one of R 1 and R 2 is a morpholinyl of formula II; and prodrugs, metabolites, tautomers, solvates and pharmaceutically acceptable salts thereof, for use in the prevention or treatment of a skin lesion in a subject.