Home > Name List By other > (2R,3R,4S)-4-(1, 3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2-methoxyphenyl) pyrrolidine-3-carboxylic acid

CAS No 173937-91-2 , (2R,3R,4S)-4-(1,
3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2-methoxyphenyl)
pyrrolidine-3-carboxylic acid

  • Name: (2R,3R,4S)-4-(1,
    3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2-methoxyphenyl)
    pyrrolidine-3-carboxylic acid
  • Synonyms: (2R,3R,4S)-4-(1,
    3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2-methoxyphenyl)
    pyrrolidine-3-carboxylic acid; (2R,3R,4S)-4-(1,3-BENZODIOXOL-5-YL)-1-[2-(DIBUTYLAMINO)-2-OXOETHYL]-2-(METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID;CTK4D4825;
  • CAS Registry Number:
  • Flash Point: 352.6°C
  • Boiling Point: 659.4°Cat760mmHg
  • Density: 1.188g/cm3
  • Flash Point: 352.6°C
  • Molecular Weight: 510.62182
  • InchiKey: MRBBDGIIHNNCJL-OFEZKSIWSA-N
  • InChI: InChI=1S/C29H38N2O6/c1-4-6-14-30(15-7-5-2)26(32)18-31-17-22(20-12-13-24-
    25(16-20)37-19-36-24)27(29(33)34)28(31)21-10-8-9-11-23(21)35-3/h8-13,16,
    22,27-28H,4-7,14-15,17-19H2,1-3H3,(H,33,34)/t22-,27-,28+/m1/s1
  • Molecular Formula: C29H38N2O6
  • Molecular Structure:CAS No:173937-91-2 (2R,3R,4S)-4-(1,<br />3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2-methoxyphenyl)<br />pyrrolidine-3-carboxylic acid

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  • Hong kong Advanced Technology & Industrial Co., Ltd. [Manufacturer]
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173937-91-2 (2R,3R,4S)-4-(1,3-BENZODIOXOL-5-YL)-1-[2-(DIBUTYLAMINO)-2-OXOETHYL]-2-(METHOXYPHENYL)PYRROLIDINE-3-CARBOXYLIC ACID

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References of (2R,3R,4S)-4-(1,
3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(2-methoxyphenyl)
pyrrolidine-3-carboxylic acid
Title: Atrasentan
CAS Registry Number: 173937-91-2
CAS Name: (2R,3R,4S)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid
Synonyms: trans,trans-2-(4-methoxyphenyl)-4-(1,3-benzodioxol-5-yl)-1-[[(dibutylamino)carbonyl]methyl]pyrrolidine-3-carboxylic acid
Manufacturers' Codes: (+)-A-127722
Molecular Formula: C29H38N2O6
Molecular Weight: 510.62
Percent Composition: C 68.21%, H 7.50%, N 5.49%, O 18.80%
Literature References: Endothelin (ET) antagonist with selectivity for the ETA subtype. Prepn: M. Winn et al., WO 9606905; eidem, US 5767144 (1996, 1998 both to Abbott); eidem, J. Med. Chem. 39, 1039 (1996). Synthesis: S. J. Wittenberger, M. A. McLaughlin, Tetrahedron Lett. 40, 7175 (1999). HPLC determn in pharmaceutical formulations: J. A. Morley et al., J. Pharm. Biomed. Anal. 19, 777 (1999); in plasma: P. D. Bryan et al., Biomed. Chromatogr. 15, 525 (2001). In vitro inhibition of ovarian carcinoma: D. Salani et al., Clin. Sci. 103, Suppl. 48, 318S (2002). Clinical pharmacokinetics and dynamics: M. C. Verhaar et al., Br. J. Clin. Pharmacol. 49, 562 (2000); and safety: M. A. Carducci et al., J. Clin. Oncol. 20, 2171 (2002). Clinical evaluation in prostate cancer: M. Fisher, Clin. Prostate Cancer 1, 79 (2002). Review of clinical development in prostate cancer: A. Jimeno, M. Carducci, Expert Opin. Invest. Drugs 13, 1631-1640 (2004).
Properties: mp 122-124°.
Melting point: mp 122-124°
 
Derivative Type: Hydrochloride
CAS Registry Number: 195733-43-8
Manufacturers' Codes: ABT-627; A-147627.1
Trademarks: Xinlay (Abbott)
Molecular Formula: C29H38N2O6.HCl
Molecular Weight: 547.08
Percent Composition: C 63.67%, H 7.19%, N 5.12%, O 17.55%, Cl 6.48%
Properties: Crystalline, non-hygroscopic solid. Readily sol in water.
 
Therap-Cat: Antineoplastic.
Keywords: Antineoplastic; Endothelin Receptor Antagonist.