Atrasentan Hydrochloride
Atrasentan HCl · ABT627 · ABT 627 · ABT-627 · A 147627.1 · Abbott 147627 · Unii-E4G31X93za · ABT-627 hydrochloride
Identifiers & Physical Properties
| CAS No. | 195733-43-8 |
|---|---|
| Molecular formula | C29H39ClN2O6 |
| Average molar mass | 547.1 g/mol |
| Monoisotopic mass | 546.2496647 g/mol |
| SMILES | CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1.Cl |
| InChIKey | IJFUJIFSUKPWCZ-SQMFDTLJSA-N |
| PubChem CID | 159595 |
| ChEMBL | CHEMBL2106068 |
| DTXSID | DTXSID20173240 |
Chemical & Physical Properties
| Topological polar surface area | 88.5 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 12 |
| Heavy atoms | 38 |
| Formal charge | 0 |
| Complexity | 734 |
| Human Drugs | FDA approved drugs -> Active ingredient |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Solubility | Soluble in DMSO |
| Physical state | Powder |
| Color | Off-white to gray |
| InChIKey | IJFUJIFSUKPWCZ-FZVADPAUNA-N |
| SMILES | C1(=CC2=C(OCO2)C=C1)[C@@H]1[C@@H](C(=O)O)[C@H](C2C=CC(OC)=CC=2)N(CC(N(CCCC)CCCC)=O)C1.Cl |&1:9,10,14,r| |
| FDA UNII | E4G31X93ZA |
| NCI Drug Dictionary | atrasentan hydrochloride |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
| Water hazard class (WGK) | WGK 3 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Water hazard class (WGK) | WGK 3 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P280-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Description
Atrasentan Hydrochloride is the orally available hydrochloride salt of pyrrolidine-3-carboxylic acid with potential antineoplastic activity. As a selective antagonist of the endothelin-A (ETA) receptor, atrasentan binds selectively to the ETA receptor, which may result in inhibition of endothelin-induced angiogenesis and tumor cell proliferation.
Uses
Atrasentan belongs to a pyrrolidine and benzodioxole derivative. It is a selective antagonist of the endothelin-A (ETA) receptor and binds selectively to the ETA receptor, which may result in the inhibition of endothelin-induced angiogenesis and tumor cell proliferation. Its potential therapeutic uses include the treatment of diabetic nephropathies and as an antineoplastic agent.