Tiludronic acid structure, CAS 89987-06-4

Tiludronic acid

CAS Number89987-06-4

SynonymsAcide tiludronique; Acido tiludronico; Acidum tiludronicum [INN-Latin]; Tiludronate; Tiludronic Acid; Acido tiludronico [INN-Spanish]; Acide tiludronique [INN-French]; Acidum tiludronicum; UNII-6PNS59HP4Y

Molecular FormulaC7H9ClO6P2S

Molecular Weight362.57 (anhydrous basis)

Purity≥98 (HPLC)%

Density1.82g/cm3

Boiling Point600.7ºC at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

SymbolTransport

Signal WordWarning

Cat. No.: 2A-9012724 Purity: ≥98 (HPLC)%
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Quality Control of [ 89987-06-4 ] Purity: ≥98 (HPLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number89987-06-4
Catalog No.2A-9012724
Chinese Name替鲁膦酸
SynonymsAcide tiludronique; Acido tiludronico; Acidum tiludronicum [INN-Latin]; Tiludronate; Tiludronic Acid; Acido tiludronico [INN-Spanish]; Acide tiludronique [INN-French]; Acidum tiludronicum; UNII-6PNS59HP4Y
Molecular FormulaC7H9ClO6P2S
Molecular Weight362.57 (anhydrous basis)
Purity≥98 (HPLC)
Density1.82g/cm3
Boiling Point600.7ºC at 760 mmHg
Appearancepowder
ApplicationTiludronic Acid is an orally active bisphosphonate that can regulate bone. Tiludronate is used to study metabolic bone diseases. Tiludronate is a potent inhibitor of osteoclast vacuolar H(+)-ATPase. A
PubChem ID329826798
MDL NumberMFCD16872037
SMILESO.[Na+].[Na+].OP([O-])(=O)C(Sc1ccc(Cl)cc1)P(O)([O-])=O
InChI1S/C7H9ClO6P2S.2Na.H2O/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14;;;/h1-4,7H,(H2,9,10,11)(H2,12,13,14);;;1H2/q;2*+1;/p-2
InChI KeySZVJRJRMQCKFON-UHFFFAOYSA-L
NACRES CodeNA.77
UNSPSC12352200
Hazard SymbolsTransport
MSDSmsds/12724_1_89987_06_4.pdf
BioactivityTiludronate (Tiludronic Acid), an orally active bisphosphonate, can act an osteoregulator. Tiludronate is used for the research of the metabolic bone disorders. Tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. Antiresorptive and anti-inflammatory properties[1][2][3][4]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Membrane Transporter/Ion Channel >> Proton Pump In Vitro The ability of Tiludronate to inhibit proton transport is 5-fold higher in kidney-derived vesicles (IC50=1.1 mM) and 10,000-fold higher in vesicles derived from osteoclasts (IC50=466 nM). Tiludronate also potently inhibited proton transport in yeast microsomal preparations (IC50=3.5 microM) and inhibited the activity of purified yeast V-ATPase. The inhibition of the osteoclast V-ATPase-mediated proton transport by Tiludronate is rapid, pH-dependent, and reversible[3]. In Vivo Tiludronate exerts a dose-dependent inhibitory activity on bone resorption. Tiludronate could act on mature osteoclasts by reducing their capacity to secrete proton into the resorption space and also by favoring their detachment from the bone matrix. Tiludronate is also tested in other models of osteoporosis. In the castrated male rat model, Tiludronate (5-200 mg/kg; p.o.) prevents the decrease in the skeletal mass, assessed physically by measuring the bone weight and density or chemically by determining the calcium and phosphate content[3]. References [1]. Reginster JY, et al. Prevention of postmenopausal bone loss by tiludronate. Lancet. 1989;2(8678-8679):1469-1471. [2]. Nunes NLT, et al. Effects of local administration of tiludronic acid on experimental periodontitis in diabetic rats. J Periodontol. 2018;89(1):105-116. [3]. Bonjour JP, et al. Tiludronate: bone pharmacology and safety. Bone. 1995;17(5 Suppl):473S-477S. [4]. David P, et al. The bisphosphonate tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. J Bone Miner Res. 1996;11(10):1498-1507. Chemical & Physical Properties Density 1.82g/cm3 Boiling Point 600.7ºC at 760 mmHg Molecular Formula C7H9ClO6P2S Molecular Weight 318.61 Flash Point 317.1ºC Exact Mass 317.92800 PSA 159.98000 LogP 2.07110 Index of Refraction 1.652 InChIKey DKJJVAGXPKPDRL-UHFFFAOYSA-N SMILES O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O
Use ofTiludronate (Tiludronic Acid), an orally active bisphosphonate, can act an osteoregulator. Tiludronate is used for the research of the metabolic bone disorders. Tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. Antiresorptive and anti-inflammatory properties[1][2][3][4]. Properties Name [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid Synonym More Synonyms Tiludronic acid Biological Activity Description Tiludronate (Tiludronic Acid), an orally active bisphosphonate, can act an osteoregulator. Tiludronate is used for the research of the metabolic bone disorders. Tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. Antiresorptive and anti-inflammatory properties[1][2][3][4]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Membrane Transporter/Ion Channel >> Proton Pump References [1]. Reginster JY, et al. Prevention of postmenopausal bone loss by tiludronate. Lancet. 1989;2(8678-8679):1469-1471. [2]. Nunes NLT, et al. Effects of local administration of tiludronic acid on experimental periodontitis in diabetic rats. J Periodontol. 2018;89(1):105-116. [3]. Bonjour JP, et al. Tiludronate: bone pharmacology and safety. Bone. 1995;17(5 Suppl):473S-477S. [4]. David P, et al. The bisphosphonate tiludronate is a potent inhibitor of the osteoclast vacuolar H(+)-ATPase. J Bone Miner Res. 1996;11(10):1498-1507. Chemical & Physical Properties Exact Mass 317.92800 PSA 159.98000 LogP 2.07110 Index of Refraction 1.652 InChIKey DKJJVAGXPKPDRL-UHFFFAOYSA-N
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available
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