1-[2-Chloro-4-[2-[3-chloro-4-(3,3-dimethyl-2-oxobutoxy)phenyl]propan-2-yl]phenoxy]-3,3-dimethylbutan-2-one

• 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: 1-[2-Chloro-4-[2-[3-chloro-4-(3,3-dimethyl-2-oxobutoxy)phenyl]propan-2-yl]phenoxy]-3,3-dimethylbutan-2-one
• 化学式: C₂₇H₃₄Cl₂O₄
• 分子量: 493.5
• InChiKey: KBYLIVZFQMRIDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Method of Extending the Dose Range of Vitamin D Compounds
  申请人：DeLuca Hector F.

  公开号：US20080249068A1

  公开（公告）日：2008-10-09

  Inhibitors of bone calcium resorption are administered, and calcium intake in the subject's diet is restricted, to allow high doses of vitamin D compounds or mimetics to be given with the intent of treating diseases such as metabolic bone diseases, hyperparathyroidism, cancer, psoriasis, and autoimmune diseases without the dangers of calcification of kidney, heart, and aorta. Inhibitors of bone calcium resorption include the bis-phosphonates, OPG (osteoprotegerin) or the soluble RANKL (receptor activator of NF-κB ligand) receptor known as sRANK (soluble RANK which is the protein expressed by the NF-κB gene), and function to block the availability of calcium from bone thereby preventing hypercalcemia and the resulting calcification of soft tissues. Thus, high doses of 1α,25-dihydroxyvitamin D 3 (1,25-(OH) 2 D 3 ), its analogs, prodrugs, or mimetics can be utilized to treat the target disease with minimal risk to a patient. Specifically, alendronate is shown to block the bone calcium mobilization activity of both 1,25-(OH) 2 D 3 and its very potent analog, 2-methylene-19-nor-(20S)-1α,25-dihydroxyvitamin D 3 , as long as the subject being treated is on a low calcium diet.
• US7259143B2
  申请人：——

  公开号：US7259143B2

  公开（公告）日：2007-08-21
• [EN] A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS<br/>[FR] PROCÉDÉ D'EXTENSION DE LA GAMME DE DOSES DE COMPOSÉS À BASE DE VITAMINE D
  申请人：WISCONSIN ALUMNI RES FOUND

  公开号：WO2009026265A1

  公开（公告）日：2009-02-26

  Inhibitors of bone calcium resorption are administered, and calcium intake in the subject's diet is restricted, to allow high doses of vitamin D compounds or mimetics to be given with the intent of treating diseases such as metabolic bone diseases, hyperparathyroidism, cancer, psoriasis, and autoimmune diseases without the dangers of calcification of kidney, heart, and aorta. Inhibitors of bone calcium resorption include the bis-phosphonates, OPG (osteoprotegerin) or the soluble RANKL (receptor activator of NF-ϰB ligand) receptor known as sRANK (soluble RANK which is the protein expressed by the NF-ϰB gene), and function to block the availability of calcium from bone thereby preventing hypercalcemia and the resulting calcification of soft tissues. Thus, high doses of lα,25-dihydroxyvitamin D3 (1,25-(OH)2D3), its analogs, prodrugs, or mimetics can be utilized to treat the target disease with minimal risk to a patient. Specifically, alendronate is shown to block the bone calcium mobilization activity of both 1,25-(OH)2D3 and its very potent analog, 2-methylene-19-nor-(20S)-lα,25-dihydroxyvitamin D3, as long as the subject being treated is on a low calcium diet.