Synonym: (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid hydrochloride; 2R-(4-Methoxyphenyl)-4S-(1,3-benzodioxol-5-yl)-1-(N, N-di(n-butyl)aminocarbonyl-methyl)-pyrrolidine-3R-carboxylic acid hydrochloride; A-147627 hydrochloride; ABT-627 hydrochloride
CAS Number: 195733-43-8
Empirical Formula (Hill Notation): C29H38N2O6 · HCl
Molecular Weight: 547.08
MDL Number: MFCD13194884
Linear Formula: C29H38N2O6 · HCl
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
white to beige |
| form |
powder |
| InChI |
1S/C29H38N2O6.ClH/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-23(21-10-13-24-25(16-21)37-19-36-24)27(29(33)34)28(31)20-8-11-22(35-3)12-9-20;/h8-13,16,23,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34);1H/t23-,27-,28+;/m1./s1 |
| InChI key |
IJFUJIFSUKPWCZ-SQMFDTLJSA-N |
| SMILES string |
[H]Cl.CCCCN(CCCC)C(CN1C[C@H](C2=CC=C(OCO3)C3=C2)[C@@H](C(O)=O)[C@@H]1C4=CC=C(OC)C=C4)=O |
| solubility |
DMSO: 2 mg/mL, clear |
| storage condition |
desiccated |
| storage temp. |
2-8°C |
| Biochem/physiol Actions: |
Atrasentan is a selective endothelin ETA receptor antagonist with an IC50 of 0.2 nM for ETA compared to 190 nM for ETB receptors. It blocks blocks endothelin induced cell proliferation, and has been investigated as a possible treatment for prostate cancer, and more recently for therapy for diabetic kidney disease. |
| Biochem/physiol Actions: |
Selective endothelin ETA receptor antagonist |
| General description: |
Atrasentan has also been used to treat cardiovascular disease. |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
2-8°C |
| UNSPSC |
12352200 |
