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121268-17-5

121268-17-5 structure
121268-17-5 structure
Name alendronate sodium trihydrate
Synonyms Alendronate sodium
(4-Amino-1-hydroxy-1-phosphonobutyl)phosphonic Acid Monosodium Salt Trihydrate
4-amino-1-hydroxy-1-phosphonobutyl phosphonic acid,monosodium,Alendronate sodium trihydrate
Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, sodium salt, hydrate (1:1:3)
Alendronate sodium trihydrate
Sodium Alendronate Trihydrate
hydrogène (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate de sodium trihydrate
alendronate sodium hydrate
Monosodium (4-Amino-1-hydroxy-1-phosphonobutyl)phosphonate Trihydrate
Alendronate monosodium trihydrate
MFCD01748233
Alendronic acid monosodium salt trihydrate
Sodium hydrogen (4-amino-1-hydroxy-1-phosphonobutyl)phosphonate hydrate (1:1:3)
onclast
Adronat
Natriumhydrogen-(4-amino-1-hydroxy-1-phosphonobutyl)phosphonattrihydrat
4-amino-1-hydroxy-1-phosphonobutyl phosphonic acid,monosodium MK-217
Dronal
Sodium alendronate
Alendronate (sodium hydrate)
Description Alendronate (sodium hydrate) is a farnesyl diphosphate synthase inhibitor with IC50 of 460 nM.
Related Catalog
Target

IC50: 460 nM (farnesyl diphosphate synthase)

In Vitro Alendronate, acting directly on osteoclasts, inhibits a rate-limiting step in the cholesterol biosynthesis pathway, essential for osteoclast function[1]. Alendronate inhibits the isoprenoid biosynthesis pathway and interferes with protein prenylation, as a result of reduced geranylgeranyl diphosphate levels. Alendronate inhibits the incorporation of [3H]mevalonolactone into proteins of 18-25 kDa and into nonsaponifiable lipids, including sterols in osteoclasts[2]. Alendronate causes a dose-dependent inhibition of [3H]MVA incorporation into sterols and a concomitant increase in incorporation of radiolabel into IPP and DMAPP[3].
In Vivo Alendronate causes erosions in the rabbit stomach, but not antral ulceration in rats. Alendronate increases the incidence and size of indomethacin-induced antral ulcers. Alendronate also enhances indomethacin-induced gastricdamage in the rat, and delays gastric ulcer healing[4]. Alendronate (0.04-0.1 mg/kg twice weekly or 0.1 mg/kg weekly) partially blocks the establishment of bone metastases by human PC-3 ML cells and results in tumor formation in the peritoneum and other soft tissues. Alendronate pretreatment of mice (0.1 mg/kg twice weekly or weekly) and dosing along with taxol (10-50 mg/kg/day, twice weekly, or weekly) blocks the growth of PC-3 ML tumors in the bone marrow and soft tissues in a statistically significant manner and improves survival rates significantly by 4-5 weeks[5].
Kinase Assay Rat liver cytosol is prepared from a separate piece of liver from rat. Assays are carried out in a total volume of 0.1 mL containing 10 mg of cytosolic protein, and components according to Rilling. All reaction components (except IPP) are mixed and kept on ice for 15 min. Reactions are initiated by the addition of [14C]IPP and incubation at 37°C. Reactions are stopped after 5 min by addition of 0.4 mL MeOH/HCl (4/1, by vol.) and the samples are incubated a further 15 min to hydrolyze the allylic pyrophosphates to petroleum ether-extractable products. Following addition of 0.5 mL water and 1 mL petroleum ether, 50% of the upper (petroleum ether-extractable) phase is taken for liquid scintillation analysis. Preliminary experiments indicated that the reaction is linear with time and protein under these conditions, and no more than 10% of the substrate is consumed.
References

[1]. Fisher JE, et al. Alendronate mechanism of action: geranylgeraniol, an intermediate in the mevalonate pathway, prevents inhibition of osteoclast formation, bone resorption, and kinase activation in vitro. Proc Natl Acad Sci U S A. 1999 Jan 5;96(1):133-8.

[2]. Bergstrom JD, et al. Alendronate is a specific, nanomolar inhibitor of farnesyl diphosphate synthase. Arch Biochem Biophys. 2000 Jan 1;373(1):231-41.

[3]. Keller RK, et al. Mechanism of aminobisphosphonate action: characterization of alendronate inhibition of the isoprenoid pathway. Biochem Biophys Res Commun. 1999 Dec 20;266(2):560-3.

[4]. Elliott SN, et al. Alendronate induces gastric injury and delays ulcer healing in rodents. Life Sci. 1998;62(1):77-91.

[5]. Stearns ME, et al. Effects of alendronate and taxol on PC-3 ML cell bone metastases in SCID mice. Invasion Metastasis. 1996;16(3):116-31.
Density 1.857g/cm3
Boiling Point 616.7ºC at 760 mmHg
Melting Point 245°C
Molecular Formula C4H18NNaO10P2
Molecular Weight 325.124
Flash Point 326.7ºC
Exact Mass 325.030365
PSA 211.45000
Storage condition −20°C
Stability Store in freezer
Water Solubility water, double-distilled: 10 mg/mL

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SZ6523500
CHEMICAL NAME :
Phosphonic acid, (4-amino-1-hydroxybutylidene)bis-, monosodium salt, trihydrate
CAS REGISTRY NUMBER :
121268-17-5
LAST UPDATED :
199609
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C4-H13-N-O7-P2.3H2-O.Na
MOLECULAR WEIGHT :
294.17

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
700 ug/kg/7D-I
TOXIC EFFECTS :
Gastrointestinal - changes in structure or function of esophagus Gastrointestinal - other changes
REFERENCE :
AJGAAR American Journal of Gastroenterology. (American College of Gastroenterology, Inc., 428 E. Preston St., Baltimore, MD 21202) V.21- 1954- Volume(issue)/page/year: 90,1889,1995
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Gastrointestinal - ulceration or bleeding from stomach
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 28,3229,1994
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 28,3229,1994 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9100 ug/kg/13W-I
TOXIC EFFECTS :
Blood - pigmented or nucleated red blood cells Blood - changes in erythrocyte (RBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 28,3244,1994 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
510 mg/kg
SEX/DURATION :
female 14 day(s) pre-mating - 20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - parturition Reproductive - Maternal Effects - other effects Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 121,217,1993
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
42 mg/kg
SEX/DURATION :
male 9 week(s) pre-mating female 2 week(s) pre-mating - 7 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - other measures of fertility
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 28,3319,1994
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
27500 ug/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - physical Reproductive - Effects on Newborn - delayed effects
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 28,3339,1994
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
26 mg/kg
SEX/DURATION :
female 17-21 day(s) after conception lactating female 21 day(s) post-birth
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) Reproductive - Effects on Newborn - physical Reproductive - Effects on Newborn - delayed effects
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 28,3373,1994
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
650 ug/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects
REFERENCE :
KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 28,3363,1994
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Precautionary Statements P301 + P312 + P330
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn,Xi
Risk Phrases R22:Harmful if swallowed. R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Phrases S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS SZ6523500
HS Code 29310095
1310-73-2 structure

1310-73-2

~68%

121268-17-5 structure

121268-17-5

Literature: GENERICS [UK] LIMITED; MERCK DEVELOPMENT CENTRE PRIVATE LIMITED Patent: WO2008/4000 A1, 2008 ; Location in patent: Page/Page column 20 ;
66376-36-1 structure

66376-36-1

~%

121268-17-5 structure

121268-17-5

Literature: WO2005/44831 A2, ; Page/Page column 11 ;
56-12-2 structure

56-12-2

~92%

121268-17-5 structure

121268-17-5

Literature: Migianu-Griffoni, Evelyne; Chebbi, Imene; Kachbi, Souad; Monteil, Maelle; Sainte-Catherine, Odile; Chaubet, Frederic; Oudar, Olivier; Lecouvey, Marc Bioconjugate Chemistry, 2014 , vol. 25, # 2 p. 224 - 230
616-45-5 structure

616-45-5

~80%

121268-17-5 structure

121268-17-5

Literature: IPCA Laboratories Limited Patent: EP1803727 A1, 2007 ; Location in patent: Page/Page column 5 ;
183959-44-6 structure

183959-44-6

~87%

121268-17-5 structure

121268-17-5

Literature: Mizrahi, Dana M.; Waner, Trevor; Segall, Yoffi Phosphorus, Sulfur and Silicon and Related Elements, 2001 , vol. 173, p. 1 - 25

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title: CAS No. 121268-17-5 | Chemsrc address: https://m.chemsrc.com/en/baike/889271.html

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