| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2008 | 13 | No |
Popular Name: Pamidronic Acid Pamidronic Acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106437-12-1 , 109552-15-0 , 40391-99-9 , 57248-88-1 , 89131-02-2 , [109552-15-0] , [57248-88-1]
(3-AMINO-1-HYDROXY-1-PHOSPHONO-PROPYL)PHOSPHONIC ACID
(3-amino-1-hydroxy-1-phosphono-propyl)phosphonic acid; Amidronate; Aminomux; pamidronate
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid
(3-amino-1-hydroxypropane-1,1-diyl)bis(phosphonic acid)
(3-amino-1-hydroxypropylidene)-1,1-biphosphonate
(3-amino-1-hydroxypropylidene)-1,1-bisphosphonate
(3-Amino-1-hydroxypropylidene)bisphosphonic acid
(3-Amino-1-hydroxypropylidene)diphosphonic acid
(3-Amino-1-hydroxypropylidene)diphosphonic acid disodium salt
1-hydroxy-3-aminopropane-1,1-diphosphonic acid
3-amino-1-hydroxy-1-phosphonopropylphosphonic acid
3-amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)
3-Amino-1-hydroxypropane-1,1-diphosphonic acid disodium salt
3-Amino-1-hydroxypropylidene-1,1-diphosphonate
40391-99-9; C07395; Pamidronate; Pamidronic acid
40391-99-9; D07281; Pamidronic acid (INN); Ribodroat (TN)
57248-88-1 (di-hydrochloride salt)
Acide pamidronique [INN-French]
Acido pamidronico [INN-Spanish]
Acidum pamidronicum [INN-Latin]
amino-1-hydroxypropane-1,1-diphosphonate
aminohydroxypropylidene diphosphonate
Aminohydroxypropylidene diphosphonate disodium salt
aminopropanehydroxydiphosphonate
disodium (3-amino-1-hydroxypropane-1,1-diyl)bis[hydrogen (phosphonate)]
Disodium (3-amino-1-hydroxypropylidene)bisphosphonate pentahydrate
Disodium 3-amino-1-hydroxypropane-1,1-diphosphonate
Disodium dihydrogen (3-amino-1-hydroxypropylidene)bisphosphonate
Disodium dihydrogen (3-amino-1-hydroxypropylidene)diphosphonate, pentahydrate
Disodium pamidronate pentahydrate
disodium [3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate
disodium [3-amino-1-hydroxy-1-[hydroxy(oxido)phosphoryl]propyl]-hydroxyphosphinate pentahydrate
disodium(3-amino-1-hydroxypropane-1,1-diyl)bis[hydrogen(phosphonate)]
Disodium-3-amino-1-hydroxypropylidene-1,1-diphosphonate pentahydrate
INN); Pamidronate Disodium (JAN
MI); Pamidronate Disodium (FDA
Novartis brand of pamidronate disodium salt
Pamidronate disodium hydrate (JAN)
Pamidronate disodium monohydrate
Pamidronate disodium pentahydrate
Pamidronate disodium [USAN:JAN]
PAMIDRONATEDISODIUMMONOHYDRATE
Pamidronic Acid, Sodium Salt Hydrate
Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-
Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt
Phosphonic acid, (3-amino-1-hydroxypropylidene)bis-, disodium salt, pentahydrate
Sodium (3-amino-1-hydroxy-1-phosphonopropyl)phosphonate
Sodium (3-amino-1-hydroxy-1-phosphonopropyl)phosphonate xhydrate
sodium(3-amino-1-hydroxypropane-1,1-diyl)bis[hydrogen(phosphonate)] hydrate(2:1:5)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.73 | -7.22 | -173.72 | 5 | 8 | -2 | 171 | 233.053 | 4 | ↓ |
| Mid Mid (pH 6-8) | -3.73 | -8.33 | -82.31 | 6 | 8 | -1 | 169 | 234.061 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.58e+01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Indications | bisphosphonate | KeyOrganics Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| Indications | osteoporosis | KeyOrganics Bioactives |
| Target | Others | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS-1-E | Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 56 | 0.78 | Binding ≤ 10μM |
| Q0GKD7-1-E | Farnesyl Pyrophosphate Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.72 | Binding ≤ 10μM |
| Z50594-2-O | Mus Musculus (cluster #2 Of 9), Other | Other | 200 | 0.72 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 180 | 0.73 | Binding ≤ 1μM |
| Q0GKD7_LEIDO | Q0GKD7 | Farnesyl Pyrophosphate Synthase, Leido | 190 | 0.72 | Binding ≤ 1μM |
| FPPS_HUMAN | P14324 | Farnesyl Diphosphate Synthase, Human | 180 | 0.73 | Binding ≤ 10μM |
| Q0GKD7_LEIDO | Q0GKD7 | Farnesyl Pyrophosphate Synthase, Leido | 190 | 0.72 | Binding ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 1600 | 0.62 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
No pre-computed analogs available. Try a structural similarity search.