Disodium;[(4-methylsulfanylphenyl)sulfanyl-phosphonatomethyl]phosphonic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: Disodium;[(4-methylsulfanylphenyl)sulfanyl-phosphonatomethyl]phosphonic acid
• 英文别名: disodium;[(4-methylsulfanylphenyl)sulfanyl-phosphonatomethyl]phosphonic acid
• 化学式: C8H10Na2O6P2S2
• 分子量: 374.2
• InChiKey: RYDCOWIKNMACJO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.12
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  171
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,2-bis[4-(methylthio)phenyl]disulfane 、 亚甲基二磷酸四异丙酯 以93的产率得到Disodium;[(4-methylsulfanylphenyl)sulfanyl-phosphonatomethyl]phosphonic acid
  参考文献：
  名称：

  Process for production of methanediphosphonic acid compound

  摘要：

  本发明涉及一种生产l-烷基硫代甲烷二膦酸化合物或1-芳基硫代甲烷二膦酸化合物的过程，其特征在于通过将巯基副产物作为不溶性盐去除，在以下公式所表示的缩合反应中：##STR1## 其中R'.sub.1代表具有1到6个碳原子的线性或分支烷基基团，R.sub.2代表烷基或芳基基团，R.sub.1代表药学上允许的阳离子、氢原子或具有1到6个碳原子的线性或分支烷基基团。本发明与传统方法相比显著提高了产量，并同时简化了纯化过程，因此在经济和工业方面非常有用。

  公开号：

  US05886206A1

文献信息

• REMEDIES FOR INTRAMEDULLARY DISEASES
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP0998934A1

  公开（公告）日：2000-05-10

  Remedies fix intramedullary diseases which are efficacious in correcting intramedullary biological balance, in particular, preventing inflammatory cellular infiltration and preventing increase in cell proliferation factors. These remedies contain as the active ingredient methanebisphosphonic acid derivatives, esters thereof, pharmaceutically acceptable salts thereof or hydrates of the same. Because of showing excellent therapeutic effects on intramedullary diseases, the above derivatives are expected as useful in preventing and treating intramedullary diseases such as rheumatoid arthritis, multiple myeloma and osteomyelitis. These compounds are also expected as useful in preventing and treating diseases of the hematopoietic system such as aplastic anemia and myelocytic leukemia.

  治疗髓内疾病的药物，可有效纠正髓内生物平衡，特别是防止炎症细胞浸润和防止细胞增殖因子增加。这些疗法的活性成分包括甲烷二膦酸衍生物、其酯类、药学上可接受的盐类或其水合物。由于上述衍生物对髓内疾病有很好的治疗效果，因此有望用于预防和治疗类风湿性关节炎、多发性骨髓瘤和骨髓炎等髓内疾病。这些化合物还有望用于预防和治疗再生障碍性贫血和骨髓细胞白血病等造血系统疾病。
• INSERTION STABILIZERS FOR IMPLANTS
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1118328A1

  公开（公告）日：2001-07-25

  The present invention relates to an implant attachment stabilizer having, as an effective component, a methanebisphosphonic acid derivative represented by general formula (I) [where, in the formula, X, Y, m, n, ···, A, B, R1, R2, R3 and R4 are as defined in the Specification], or hydrate thereof. The methanebisphosphonic acid derivatives represented by general formula (I) or the hydrates thereof, to which the present invention relates, have an interstitial tissue proliferation inhibiting action and an osteolytic factor production inhibiting action and, in particular, since they inhibit osteolysis through the inhibition of the interstitial tissue proliferation which accompanies implant attachment and the inhibition of osteolysis factor production at the implant periphery, they are effective in the prevention of implant loosening and detachment, and it is possible to extend the implant attachment period in the case of implants such as artificial joints, and implants in the oro-dental field.

  本发明涉及一种种植体附着稳定剂，其有效成分为通式 (I) 所代表的甲烷二膦酸衍生物[式中，X、Y、m、n、---、A、B、R1、R2、R3 和 R4 如说明书中所定义]或其水合物。 [式中，X、Y、m、n、---、A、B、R1、R2、R3 和 R4 如说明书中所定义]或其水合物。 本发明所涉及的通式（I）所代表的甲烷二膦酸衍生物或其水合物具有抑制间质组织增殖的作用和抑制溶骨因子生成的作用，特别是： 1、由于它们通过抑制伴随植入物附着的间质组织增生和抑制植入物外围的溶骨因子产生来抑制溶骨，因此它们能有效防止植入物松动和脱落，并能延长人工关节等植入物和口腔领域植入物的附着期。
• MEDICINAL COMPOSITION FOR PERIODONTAL POCKET ADMINISTRATION CONTAINING BISPHOSPHONIC ACID DERIVATIVE OR ITS SALT AS THE ACTIVE INGREDIENT
  申请人：TORAY INDUSTRIES, INC.

  公开号：EP1547604A1

  公开（公告）日：2005-06-29

  A pharmaceutical composition for being administered to periodontal pockets, comprising as an effective ingredient a bisphosphonic acid derivative, which has an excellent sustained-release property when locally administered, is disclosed. The pharmaceutical composition for being administered to periodontal pockets according to the present invention comprises a bisphosphonic acid derivative or a salt thereof, and a base which undergoes liquid-gel phase transition upon contacting with physiological body fluid in the periodontal pocket.

  本发明公开了一种用于牙周袋给药的药物组合物，其有效成分包括一种双膦酸衍生物，该衍生物在局部给药时具有优异的持续释放特性。根据本发明，用于牙周袋给药的药物组合物包括一种双膦酸衍生物或其盐，以及一种在与牙周袋中的生理体液接触时会发生液-凝胶相变的碱。
• OSTEOGENESIS PROMOTER COMPRISING [4-(METHYLTHIO)PHENYLTHIO]METHANEBISPHOSPHONIC ACID OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AS ACTIVE INGREDIENT
  申请人：Tohoku University

  公开号：EP2340841A1

  公开（公告）日：2011-07-06

  Disclosed are: a compound which can be produced through a chemical synthesis at low cost, has an excellent osteogenesis-promoting activity, has high affinity for a bone, and can be applied without the need of any special DDS; and a method for promoting osteogenesis by administering the compound and applying the promotion of osteogenesis to the formation or regeneration of a bone. Specifically disclosed are: an osteogenesis promoter or a pharmaceutical composition comprising [4-(methylthio)phenylthio]methanebisphosphonic acid, which is one of bisphosphonic acids, or a pharmaceutically acceptable salt thereof as an active ingredient; and a method for promoting osteogenesis, which comprises administering the osteogenesis promoter or the pharmaceutical composition to a subject to be treated.

  公开了：一种可通过化学合成以低成本生产、具有优异的成骨促进活性、对骨具有高亲和力且无需任何特殊 DDS 即可应用的化合物；以及一种通过施用该化合物并将成骨促进作用应用于骨的形成或再生以促进成骨的方法。具体公开了：一种成骨促进剂或一种药物组合物，其活性成分包括[4-(甲硫基)苯硫基]甲烷双膦酸，它是双膦酸中的一种，或其药学上可接受的盐；以及一种促进成骨的方法，该方法包括将成骨促进剂或药物组合物施用给待处理的对象。
• US6555529B1
  申请人：——

  公开号：US6555529B1

  公开（公告）日：2003-04-29