基本情報
- CAS
149845-07-8- 標準SMILES
O=P([O-])(O)C(Sc1ccc(Cl)cc1)P(=O)([O-])O.[Na+].[Na+]- InChIKey
SKUHWSDHMJMHIW-UHFFFAOYSA-L- 分子式
- C7H7ClNa2O6P2S
- 平均分子量
- 362.57 g/mol
- 単同位体質量
- 361.8922494
概要
Tiludronate Disodium is the disodium salt form of tiludronate, a first-generation, non-nitrogenous bisphosphonate analogue of endogenous pyrophosphate. Tiludronate adsorbs to hydroxyapatite cells, and although the exact mechanism through which this bisphosphonate exerts its effect has yet to be fully elucidated, tiludronate appears to inhibit protein-tyrosine-phosphatase (PTP) in osteoclasts, thereby disrupting the cytoskeletal ring structure and suppressing the bone resorbing activity of osteoclasts. In addition, tiludronate appears to inhibit the vacuolar-type proton ATPase (V-ATPase) in osteoclasts. Altogether, this may reduce the number of osteoclasts, inhibit abnormal bone resorption and reduce bone turnover.
名称と識別子
- 優先名称
- Tiludronate Disodium
- IUPAC
- disodium;[(4-chlorophenyl)sulfanyl-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
- 現地名
- チルドロン酸二ナトリウム
- 英語名
- Tiludronic acid, disodium salt
- 分子式
- C7H10ClNaO6P2S
- 分子量
- 342.6
名称と別名
TILUDRONATE DISODIUM149845-07-8Tiludronic acid disodium saltsr 41319bTiludronate sodiumDTXSID1048621BH6M93CIA0SR-41319BTiludronate disodium anhydrousDTXCID4028547TildrenRefChem:56266
名称をさらに表示
チルドロン酸二ナトリウム[[(4-クロロフェニル)チオ]メチレン]ビス(ホスホン酸水素)二ナトリウムチルドロン酸二ナトリウム塩SR 41319GUnii-bh6m93cia0Tiludrote disodiumDisodiumTiludronate>Tiludronic acid, disodium saltDisodium (4-chlorophenylthio)methylenediphosphonate(((4-chlorophenyl)thio)methylene)diphosphonic acid, sodium salt
SkelidDisodium TiludronateTILUDRONIC ACID, DISODIUM SALTTiludronate disodium [USAN]Tiludronic Acid (disodium)Disodium dihydrogen (((p-chlorophenyl)thio)methylene)diphosphonatePhosphonic acid, (((4-chlorophenyl)thio)methylene)bis-, disodium saltPhosphonic acid, [[(4-chlorophenyl)thio]methylene]bis-, sodium salt (1:2)
データベース識別子
- CAS
149845-07-8
物性
構造計算による物性
- 極性表面積
- 146 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 320
実験および物理化学的性質
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Animal DrugsFDA approved animal drugs -> Active ingredient
物理化学的性質
- 融点
- 300 °C · >300°C
- 貯蔵温度
- -20 °C · -20°C Freezer
- 溶解性
- メタノール（微量）、水（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイト
- Merck
- 14 · 14,9441
化学的性質
化学的特性Fine White to Off-White Crystalline Powder
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Tiludronate disodium
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
安全データ
- hs_code
- 2931.39.0030
化学と産業
薬理情報
MeSH Pharmacological ClassificationAgents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.
応用分野
説明Tiludronate disodium, the first of the third generation of bisphosphonates, was introduced to the market in Switzerland for the treatment of Paget‘s disease. Bisphosphonates have high affinity for bone. When given orally, they are not metabolized but are absorbed, stored, preferentially localized to the skeleton where they inhibit bone resorption and therefore are useful in the treatment of diseases of high bone turnover such as Paget’s disease and hypercalcemia of malignancy. Mechanistically, tiludronate disodium is suggested to be a specific inhibitor of functioning osteoclasts through selective incorporation into the polarized osteoclastlike multinucleated cells and direct interference with the maintenance of the cytoskeletal structure. Tiludronate disodium is reportedly in clinical trials for osteoporosis in post-menopausal women.
使用A biphosphonate bone resorption inhibitor.
上流・下流製品情報
上流原料
サプライヤー41 社
梯希爱(上海)化成工业发展有限公司
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