Product Name

  • Name

    Pamidronic acid

  • EINECS 254-905-2
  • CAS No. 40391-99-9
  • Article Data32
  • CAS DataBase
  • Density 1.998 g/cm3
  • Solubility
  • Melting Point 226-228 °C
  • Formula C3H11NO7P2
  • Boiling Point 658.7 °C at 760 mmHg
  • Molecular Weight 279.034
  • Flash Point 352.2 °C
  • Transport Information
  • Appearance COA
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 40391-99-9 (Pamidronic acid)
  • Hazard Symbols
  • Synonyms Phosphonicacid, (3-amino-1-hydroxypropylidene)bis- (9CI);(3-Amino-1-hydroxypropylidene)-1,1-bisphosphonate;(3-Amino-1-hydroxypropylidene)bisphosphonic acid;(a-Hydroxy-g-aminopropylidene)diphosphonic acid;3-Amino-1-hydroxypropane-1,1-diphosphonic acid;3-Amino-1-hydroxypropylidene-1,1-bisphosphonic acid;3-Amino-1-hydroxypropylidenediphosphonic acid;Amidronic acid;Phosphonic acid,P,P'-(3-amino-1-hydroxypropylidene)bis-;Panolin;Propane-1-hydroxy-3-amino-1,1-diphosphonic acid;
  • PSA 180.93000
  • LogP -0.96300

Synthetic route

3-amino propanoic acid
107-95-9

3-amino propanoic acid

pamidronate
40391-99-9

pamidronate

Conditions
ConditionsYield
With methanesulfonic acid; phosphorous acid; phosphorus trichloride at 65 - 70℃; Inert atmosphere;99%
Stage #1: 3-amino propanoic acid With phosphorus trichloride In methanesulfonic acid at 80 - 85℃;
Stage #2: With water In methanesulfonic acid at 105℃; for 4h;		85%
With phosphonic Acid; phosphorus trichloride In chlorobenzene at 100℃; for 3h; Inert atmosphere;82%
[3-(benzyloxycarbonylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid
948317-73-5

[3-(benzyloxycarbonylamino)-1-hydroxy-1-phosphonopropyl]phosphonic acid

pamidronate
40391-99-9

pamidronate

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In methanol for 24h;90%
[3-(1,3-dioxo-1,3-dihydroisoindol-2-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid
917092-03-6

[3-(1,3-dioxo-1,3-dihydroisoindol-2-yl)-1-hydroxy-1-phosphonopropyl]phosphonic acid

pamidronate
40391-99-9

pamidronate

Conditions
ConditionsYield
With hydrazine hydrate In water at 20℃; for 0.5h;67%
With hydrogenchloride In water for 5.5h; Reflux;
pamidronate
40391-99-9

pamidronate

3-amino-1-hydroxypropane-1,1-diphosphonic acid disodium salt

3-amino-1-hydroxypropane-1,1-diphosphonic acid disodium salt

Conditions
ConditionsYield
With sodium methylate In ethanol99.6%
With sodium methylate In methanol97.9%
With sodium hydroxide In water
copper(II) carbonate

copper(II) carbonate

pamidronate
40391-99-9

pamidronate

water
7732-18-5

water

2Cu(2+)*2H3NC2H4C(OH)(PO3)PO3H(2-)*H2O=[Cu2(H3NC2H4C(OH)(PO3)PO3H)2]*H2O

2Cu(2+)*2H3NC2H4C(OH)(PO3)PO3H(2-)*H2O=[Cu2(H3NC2H4C(OH)(PO3)PO3H)2]*H2O

Conditions
ConditionsYield
In water High Pressure; equimol., heatd at 70°C in a closed flask for for 3 wk; crysts. decanted, dried (air); elem. anal.;95%
...Expand
formaldehyd
50-00-0

formaldehyd

pamidronate
40391-99-9

pamidronate

olpadronate
63132-39-8

olpadronate

Conditions
ConditionsYield
With formic acid for 17h; Heating;92%
6-maleimidohexanoic acid N-hydroxylsuccinimide ester
55750-63-5

6-maleimidohexanoic acid N-hydroxylsuccinimide ester

pamidronate
40391-99-9

pamidronate

(3‐{[6‐(2,5‐dioxo‐2,5‐dihydro‐1H‐pyrrol‐1‐yl)hexanoyl]amino}‐1‐hydroxypropane‐1,1‐diyl)bis(phosphonic acid)

(3‐{[6‐(2,5‐dioxo‐2,5‐dihydro‐1H‐pyrrol‐1‐yl)hexanoyl]amino}‐1‐hydroxypropane‐1,1‐diyl)bis(phosphonic acid)

Conditions
ConditionsYield
With sodium hydroxide In water; acetone at 20℃; pH=8 - 9;88%
pamidronate
40391-99-9

pamidronate

disodium-1,3-dihydroxypropane-1,1-diphosphonate

disodium-1,3-dihydroxypropane-1,1-diphosphonate

Conditions
ConditionsYield
With sodium nitrite In Na2 -salt; water85%
pamidronate
40391-99-9

pamidronate

water
7732-18-5

water

copper(II) nitrate

copper(II) nitrate

3Cu(2+)*2C3NH8P2O7(3-)*2H2O=Cu3(C3NH8P2O7)2*2H2O

3Cu(2+)*2C3NH8P2O7(3-)*2H2O=Cu3(C3NH8P2O7)2*2H2O

Conditions
ConditionsYield
With NaOH In water High Pressure; a mixt. of Cu-contg. compd. (0.5 mmol), ligand (0.5 mmol) and water adjusted to pH 4.2 with NaOH aq. soln. was sealed in a Teflon-lined autoclave and heated at 160°C for 3 d; slow cooling to room temp.; crystals were filtered off and washed with water; elem. anal.;85%
...Expand
4-chloroquinazoline
5190-68-1

4-chloroquinazoline

pamidronate
40391-99-9

pamidronate

[1-hydroxy-3-(quinazolin-4-ylamino)propane-1,1-diyl]bis(phosphonic acid)

[1-hydroxy-3-(quinazolin-4-ylamino)propane-1,1-diyl]bis(phosphonic acid)

Conditions
ConditionsYield
Stage #1: 4-chloroquinazoline; pamidronate With potassium carbonate In water at 95℃; for 24h; Reflux;
Stage #2: With hydrogenchloride In water at 5℃; for 24h; pH=1;		82%
pamidronate
40391-99-9

pamidronate

phenyl isothiocyanate
103-72-0

phenyl isothiocyanate

formamide
77287-34-4, 77287-35-5, 60100-09-6

formamide

triethylamine
121-44-8

triethylamine

bis(triethylammonium) <1-hydroxy-3-(3-phenylthioureido)propylidene>bisphosphonate formamide

bis(triethylammonium) <1-hydroxy-3-(3-phenylthioureido)propylidene>bisphosphonate formamide

Conditions
ConditionsYield
In acetonitrile Ambient temperature;77%
...Expand
2-chloropyrimidine
1722-12-9

2-chloropyrimidine

pamidronate
40391-99-9

pamidronate

[1-hydroxy-3-(pyrimidin-2-ylamino)propane-1,1-diyl]bis(phosphonic acid)

[1-hydroxy-3-(pyrimidin-2-ylamino)propane-1,1-diyl]bis(phosphonic acid)

Conditions
ConditionsYield
Stage #1: 2-chloropyrimidine; pamidronate With potassium carbonate In water at 90 - 180℃; for 23h; Reflux;
Stage #2: With hydrogenchloride In water at 5℃; for 48h; pH=1;		71%
zinc(II) nitrate
10196-18-6

zinc(II) nitrate

pamidronate
40391-99-9

pamidronate

water
7732-18-5

water

Zn(2+)*C3NH9P2O7(2-)*H2O=Zn(C3NH9P2O7)*H2O

Zn(2+)*C3NH9P2O7(2-)*H2O=Zn(C3NH9P2O7)*H2O

Conditions
ConditionsYield
With NaOH In water High Pressure; a mixt. of Zn-contg. compd. (0.5 mmol), ligand (0.5 mmol) and water adjusted to pH 3.6 with NaOH aq. soln. was sealed in a Teflon-lined autoclave and heated at 160°C for 3 d; slow cooling to room temp.; crystals were filtered off and washed with water; elem. anal.;70%
...Expand
samarium(III) oxide

samarium(III) oxide

pamidronate
40391-99-9

pamidronate

samarium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

samarium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

Conditions
ConditionsYield
With hydrogenchloride In water at 160℃; for 48h; pH=0.65; Autoclave;68%
pamidronate
40391-99-9

pamidronate

[Pt(OSO3)(cis-1,4-diaminocyclohexane)(water)]
164654-62-0

[Pt(OSO3)(cis-1,4-diaminocyclohexane)(water)]

water
7732-18-5

water

[(cis-Pt(1,4-diaminocyclohexane))2(3-ammonium-1-hydroxypropane-1,1-diylbisphosphonate)]HSO4*6water

[(cis-Pt(1,4-diaminocyclohexane))2(3-ammonium-1-hydroxypropane-1,1-diylbisphosphonate)]HSO4*6water

Conditions
ConditionsYield
With Ba(OH)2*8H2O In water byproducts: BaSO4; addn. of barium hydroxide to aq. soln. of phosphonic acid deriv., addn. of aq. soln. of platinum compd., stirring at room temp. for 48 h; filtration, concg., addn. of aq. H2SO4 to pH 1, treating with acetone, keeping at 4°C for 2 h, filtration, drying in vac., elem. anal.;65.1%
...Expand
formaldehyd
50-00-0

formaldehyd

pamidronate
40391-99-9

pamidronate

α-hydroxy-γ-propylidenediphosphonic acid

α-hydroxy-γ-propylidenediphosphonic acid

Conditions
ConditionsYield
With hydrogenchloride; phosphonic Acid In water at 115 - 120℃; for 3h;64%
Nd2O5

Nd2O5

pamidronate
40391-99-9

pamidronate

neodimium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

neodimium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

Conditions
ConditionsYield
With hydrogenchloride In water at 160℃; for 48h; pH=0.47; Autoclave;63%
2-chloroquinazoline
6141-13-5

2-chloroquinazoline

pamidronate
40391-99-9

pamidronate

[1-hydroxy-3-(quinazolin-2-ylamino)propane-1,1-diyl]bis(phosphonic acid)

[1-hydroxy-3-(quinazolin-2-ylamino)propane-1,1-diyl]bis(phosphonic acid)

Conditions
ConditionsYield
Stage #1: 2-chloroquinazoline; pamidronate With potassium carbonate In water at 90 - 180℃; for 22h; Reflux;
Stage #2: With hydrogenchloride In water at 5℃; for 24h; pH=1;		62%
cobalt(II) nitrate hexahydrate

cobalt(II) nitrate hexahydrate

pamidronate
40391-99-9

pamidronate

Co(2+)*C3NH9P2O7(2-)*H2O=Co(C3NH9P2O7)*H2O
898547-48-3

Co(2+)*C3NH9P2O7(2-)*H2O=Co(C3NH9P2O7)*H2O

Conditions
ConditionsYield
With NaOH In water High Pressure; a mixt. of Co-contg. compd. (0.5 mmol), ligand (0.5 mmol) and water adjusted to pH 2.8 with NaOH aq. soln. was sealed in a Teflon-lined autoclave and heated at 160°C for 3 d; slow cooling to room temp.; crystals were filtered off and washed with water; elem. anal.;60%
manganese(II) nitrate hexahydrate

manganese(II) nitrate hexahydrate

pamidronate
40391-99-9

pamidronate

Mn(2+)*C3NH9P2O7(2-)*H2O=Mn(C3NH9P2O7)*H2O
898547-50-7

Mn(2+)*C3NH9P2O7(2-)*H2O=Mn(C3NH9P2O7)*H2O

Conditions
ConditionsYield
With NaOH In water High Pressure; a mixt. of Mn-contg. compd. (0.5 mmol), ligand (0.5 mmol) and water adjusted to pH 2.8 with NaOH aq. soln. was sealed in a Teflon-lined autoclave and heated at 160°C for 3 d; slow cooling to room temp.; crystals were filtered off and washed with water; elem. anal.;60%
3-maleimidopropionic acid N-hydroxysuccinimide ester
55750-62-4

3-maleimidopropionic acid N-hydroxysuccinimide ester

pamidronate
40391-99-9

pamidronate

(3‐{[3‐(2,5‐dioxo‐2,5‐dihydro‐1H‐pyrrol‐1‐yl)propanoyl]amino}‐1‐hydroxypropane‐1,1‐diyl)bis(phosphonic acid)

(3‐{[3‐(2,5‐dioxo‐2,5‐dihydro‐1H‐pyrrol‐1‐yl)propanoyl]amino}‐1‐hydroxypropane‐1,1‐diyl)bis(phosphonic acid)

Conditions
ConditionsYield
With sodium hydroxide In water; acetone at 20℃; pH=8 - 9;60%
Thiram
137-26-8

Thiram

pamidronate
40391-99-9

pamidronate

disodium <3-(3,3-dimethylthioureido)-1-hydroxypropylidene>bisphosphonate trihydrate
140846-28-2

disodium <3-(3,3-dimethylthioureido)-1-hydroxypropylidene>bisphosphonate trihydrate

Conditions
ConditionsYield
With triethylamine In methanol for 8h; Heating;50%
nickel(II) nitrate hexahydrate

nickel(II) nitrate hexahydrate

pamidronate
40391-99-9

pamidronate

Ni2(C3NH10P2O7)4(H2O)2*2H2O

Ni2(C3NH10P2O7)4(H2O)2*2H2O

Conditions
ConditionsYield
In water High Pressure; a mixt. of Ni-contg. compd. (0.5 mmol), ligand (0.5 mmol) and water (pH 1.7) was sealed in a Teflon-lined autoclave and heated at 160°C for 3 d; slow cooling to room temp.; crystals were washed with water; elem. anal.;50%
europium(III) oxide

europium(III) oxide

pamidronate
40391-99-9

pamidronate

europium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

europium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

Conditions
ConditionsYield
With hydrogenchloride In water at 160℃; for 36h; pH=0.58; Autoclave;50%
4-chloro-2-phenylquinazoline
6484-25-9

4-chloro-2-phenylquinazoline

pamidronate
40391-99-9

pamidronate

[1-hydroxy-3-((2-phenylquinazolin-4-yl)amino)propane-1,1-diyl]bis(phosphonic acid)

[1-hydroxy-3-((2-phenylquinazolin-4-yl)amino)propane-1,1-diyl]bis(phosphonic acid)

Conditions
ConditionsYield
Stage #1: 4-chloro-2-phenylquinazoline; pamidronate With potassium carbonate In water at 90 - 180℃; for 23h; Reflux;
Stage #2: With hydrogenchloride In water at 5℃; for 48h; pH=1;		46%
pamidronate
40391-99-9

pamidronate

pyridoxal 5'-phosphate
54-47-7

pyridoxal 5'-phosphate

ammonium salt 3-(N-[5'-phospho]pyridoxylamino)-1-hydroxypropyliden-1,1-bisphosphonic acid

ammonium salt 3-(N-[5'-phospho]pyridoxylamino)-1-hydroxypropyliden-1,1-bisphosphonic acid

Conditions
ConditionsYield
Stage #1: pamidronate; pyridoxal 5'-phosphate With triethylamine In ethanol; water at 20℃; for 1h;
Stage #2: With sodium tetrahydroborate at 20℃; for 1h;
Stage #3: With ammonia In water		44%
pamidronate
40391-99-9

pamidronate

o-chlorobenzoyl chloride
609-65-4

o-chlorobenzoyl chloride

C10H14ClNO8P2
790204-13-6

C10H14ClNO8P2

Conditions
ConditionsYield
Stage #1: pamidronate; o-chlorobenzoyl chloride With sodium hydroxide In water at -10℃; for 6h;
Stage #2: With hydrogenchloride In water pH=1;		41%
praseodymium oxide

praseodymium oxide

pamidronate
40391-99-9

pamidronate

praseodimium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

praseodimium(III) 3-ammonium-1-hydroxypropylidene-1,1-diphosphonate

Conditions
ConditionsYield
With hydrogenchloride In water at 160℃; for 48h; pH=0.74; Autoclave;41%

Pamidronic acid Chemical Properties


IUPAC Name: (3-Amino-1-hydroxy-1-phosphonopropyl)phosphonic acid
Molecular Formula: C3H11NO7P2 
Molecular Weight: 235.07 g/mol
Canonical SMILES: C(P(O)(O)=O)(P(O)(O)=O)(CCN)O
InChI: InChI=1/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
EINECS: 254-905-2
Classification Code: Bone Density Conservation Agents; Bone resorption inhibitor
Product Categories: (intermediate of pamidronate disodium); Delavirdine
Density: 1.998 g/cm3 
Flash Point: 352.2 °C 
Enthalpy of Vaporization: 111 kJ/mol 
Boiling Point: 658.7 °C at 760 mmHg 
Melting Point: 226-228 °C
Vapour Pressure of Pamidronic acid (CAS NO.40391-99-9): 3.79E-20 mmHg at 25 °C

Pamidronic acid Uses

 Pamidronic acid (CAS NO.40391-99-9) is used to prevent bone loss, and treat osteoporosis. It is also used to strengthen bone in Paget's disease, to prevent bone loss due to steroid use, and in certain cancers with high propensity to bone, such as multiple myeloma. It is also used as an experimental treatment of the bone disorder known as Osteogenesis Imperfecta, or brittle bones.

Pamidronic acid Specification

 Pamidronic acid (CAS NO.40391-99-9), its Synonyms are Amidronate ; Acide pamidronique ; Acido pamidronico ; Pamidronate ; (3-Amino-1-hydroxypropylidene)bisphosphonic acid ; (3-Amino-1-hydroxypropylidene)diphosphonic acid .

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