6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxylic acid
• 化学式: C₁₅H₉N₃O₂S
• 分子量: 295.321
• InChiKey: HICORAAXFCXYAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  99.2
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• METHODS AND COMPOSITIONS FOR DRUGS TO TREAT OPHTHALMIC DISEASES
  申请人：Duke University

  公开号：US20210198266A1

  公开（公告）日：2021-07-01

  The presently disclosed subject matter is directed to compositions and methods for treating CaMKK2-mediated ophthalmic diseases, including but not limited to 1) ocular surface inflammatory diseases (OSIDs), including but not limited to ocular graft versus host disease, ocular cicatricial pemphigoid, vernal keratoconjunctivitis, allergic eye disease, meibomian gland dysfunction, aqueous tear deficiency (common dry eye disease), corneal scarring, and conjunctival scarring and fibrosis; 2) uveitis and other inflammatory diseases of the eye, including but not limited to keratitis, scleritis, iritis, iridocyclitis, intermediate uveitis, pars planitis, posterior uveitis, choroiditis, chorioretinitis, retinitis, or panuveitis of noninfectious, infectious, or idiopathic etiologies; and 3) “back of the eye” retinal diseases, which include dry age-related macular degeneration, neovascular age-related macular degeneration, diabetic retinopathy, retinal vascular diseases (e.g. retinal vein occlusion, retinal artery occlusion), and retinal degenerations and dystrophies, in a subject. Particularly, the disclosed compounds exhibit improvements over STO-609, a well characterized specific inhibitor of CaMKK2. The disclosed compounds exhibit enhanced aqueous solubility and formulation, as well as elimination of non-binding isomers during production. The disclosed inhibitor compounds can be used to effectively treat ophthalmic diseases, cancers, appetite disorders, systemic inflammatory diseases, and the like.
• [EN] METHODS AND COMPOSITIONS FOR DRUGS TO TREAT OPHTHALMIC DISEASES<br/>[FR] MÉTHODES ET COMPOSITIONS POUR MEDICAMENTS PERMETTANT DE TRAITER DES MALADIES OPHTHALMIQUES
  申请人：UNIV DUKE

  公开号：WO2020041344A1

  公开（公告）日：2020-02-27

  The presently disclosed subject matter is directed to compositions and methods for treating CaMKK2-mediated ophthalmic diseases, including but not limited to 1) ocular surface inflammatory diseases (OSIDs), including but not limited to ocular graft versus host disease, ocular cicatricial pemphigoid, vernal keratoconjunctivitis, allergic eye disease, meibomian gland dysfunction, aqueous tear deficiency (common dry eye disease), corneal scarring, and conjunctival scarring and fibrosis; 2) uveitis and other inflammatory diseases of the eye, including but not limited to keratitis, scleritis, iritis, iridocyclitis, intermediate uveitis, pars planitis, posterior uveitis, choroiditis, chorioretinitis, retinitis, or panuveitis of noninfectious, infectious, or idiopathic etiologies; and 3) "back of the eye" retinal diseases, which include dry age-related macular degeneration, neovascular age-related macular degeneration, diabetic retinopathy, retinal vascular diseases (e.g. retinal vein occlusion, retinal artery occlusion), and retinal degenerations and dystrophies, in a subject. Particularly, the disclosed compounds exhibit improvements over STO-609, a well characterized specific inhibitor of CaMKK2.