Alendronate Sodium

HCID 23681107

Grundinformationen

CAS
121268-17-5
Standard-SMILES
NCCCC(O)(P(=O)([O-])O)P(=O)(O)O.O.O.O.[Na+]
InChIKey
DCSBSVSZJRSITC-UHFFFAOYSA-M
Summenformel
C4H18NNaO10P2
Durchschnittliche Molmasse
325,12 g/mol
Monoisotopische Masse
325,03036332

Überblick

Alendronate sodium trihydrate is a hydride that is the trihydrate of alendronate sodium. It has a role as an EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor and a bone density conservation agent. It is a hydrate and an organic sodium salt. It contains an alendronate(1-).

Namen und Bezeichner

Bevorzugter Name
Alendronate Sodium
IUPAC
sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate
Englischer Name
Alendronate sodium trihydrate
Summenformel
C4H13NO7P2.3H2O.Na
Molmasse
326.13

Namen und Synonyme

Alendronate sodium trihydrateALENDRONATE SODIUMAdronatAlendrosSODIUM ALENDRONATE TRIHYDRATEAdrovanceSodium alendronateVantavoDTXSID7047801Alendronic acid monosodium salt trihydrate2UY4M2U3RAFosavance
Weitere Namen anzeigen
SodiuM Alendronate HydrateFosamaxBifosaNeoBonFosamsx
OnclastPhosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt, trihydrateG-704,650sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate trihydrateAlendronate (as sodium)MK-217Monosodium (4-amino-1-hydroxybutylidene)bisphosphonate trihydrateCHEBI:2566

Datenbank-Bezeichner

CAS
121268-17-5
PubChem CID
23681107
DTXSID
DTXSID7047801
ChEMBL
CHEMBL2367465、CHEMBL675
ChEBI
CHEBI:2566
UNII
2UY4M2U3RA
EC Number
601-766-4、950-815-9

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
167 Ų
H-Brücken-Donoren
8
H-Brücken-Akzeptoren
11
Frei drehbare Bindungen
5
Schwere Atome
18

Experimentelle und physikochemische Eigenschaften

Human Drugs · 4 Einträge

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

Physikochemische Eigenschaften

Schmelzpunkt
245 °C · 245°C
storage temp.
-20 °C · -20°C
Löslichkeit
10 mg/mL · water, double-distilled: 10 mg/mL
Aggregatzustand
solid
Farbe
white
Wasserlöslichkeit
10 mg/ml · Soluble in water at 10mg/ml

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 1.8% (2 of 110) of reports.

Danger

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 110 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Acute Tox. 4 (98.2%)

Acute Tox. 4 (100%)

Toxikologische Informationen

Exposure Routes · 1 Eintrag

Relative to an intravenous (IV) reference dose, the mean oral bioavailability of alendronate in women was 0.7% for doses ranging from 5 to 40 mg when administered after an overnight fast and two hours before a standardized breakfast. Oral bioavailability of the 10 mg tablet in men (0.59%) was similar to that in women (0.78%) when administered after an overnight fast and 2 hours before breakfast.

Toxicity Summary · 1 Eintrag

The action of Alendronate on bone tissue is based partly on its affinity for hydroxyapatite, which is part of the mineral matrix of bone. Alendronate also targets farnesyl pyrophosphate (FPP) synthase. Nitrogen-containing bisphosphonates (such as pamidronate, alendronate, risedronate, ibandronate and zoledronate) appear to act as analogues of isoprenoid diphosphate lipids, thereby inhibiting FPP synthase, an enzyme in the mevalonate pathway. Inhibition of this enzyme in osteoclasts prevents the biosynthesis of isoprenoid lipids (FPP and GGPP) that are essential for the post-translational farnesylation and geranylgeranylation of small GTPase signalling proteins. This activity inhibits osteoclast activity and reduces bone resorption and turnover. In postmenopausal women, it reduces the elevated rate of bone turnover, leading to, on average, a net gain in bone mass.

Signs and SymptomsAlendronate can damage the esophagus both by toxicity from the medication itself and by nonspecific irritation secondary to contact between the pill and the esophageal mucosa, similar to other cases of "pill esophagitis."
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Alendronate sodium

vLess-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Sicherheitsdaten

wgk
3
hs_code
29310095
RTECS-Nr.
SZ6523500
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36-60

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

There is no evidence that alendronate is metabolized in humans or animals. Route of Elimination: Following a single IV dose of [14C]alendronate, approximately 50% of the radioactivity was excreted in the urine within 72 hours and little or no radioactivity was recovered in the feces. Half Life: >10 years

FDA Pharmacological Classification · 4 Einträge

ALENDRONATE SODIUM

Diphosphonates [CS]; Bisphosphonate [EPC]

ALENDRONATE SODIUM TABLET

Bisphosphonate [EPC]; Diphosphonates [CS]

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.

Verwendung und Herstellung

UsesFor the treatment and prevention of osteoporosis in women and Paget's disease of bone in both men and women.
Anwendungen · 1 Eintrag

VerwendenAlendronate sodium trihydrate is used as a bone resorption inhibitor, farnesyl diphosphate synthase inhibitor and CD45 protein tyrosine phosphatase inhibitor. A robust inhibitor of bone resorption that induces apoptosis. Alendronate inhibits the migration and invasion of PC-3 cells (sc-2220) by interfering with the mevalonate pathway. Additionally, Alendronate, Sodium Salt is an inhibitor of CD45RC and MMP.

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
河北凡博医药科技有限公司15588346797
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A hydride that is the trihydrate of alendronate sodium

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