Xemilofiban
Title: Xemilofiban
CAS Registry Number: 149820-74-6
CAS Name: (3S)-3-[[4-[[4-(Aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-4-pentynoic acid ethyl ester
Additional Names: ethyl (3S)-3-[3-[(p-amidinophenyl)carbamoyl]propionamido]-4-pentynoate
Molecular Formula: C18H22N4O4
Molecular Weight: 358.39
Percent Composition: C 60.32%, H 6.19%, N 15.63%, O 17.86%
Literature References: Platelet fibrinogen receptor (GPIIb/IIIa) antagonist. Prodrug converted in vivo to the active acid form. Prepn: P. R. Bovy et al., WO 9307867; eidem, US 5344957 (1993, 1994 both to Monsanto; Searle); J. Cossy et al., Bioorg. Med. Chem. Lett. 7, 1699 (1997). Structure-activity study: J. A. Zablocki et al., J. Med. Chem. 38, 2378 (1995). Pharmacology: N. S. Nicholson et al., Circulation 91, 403 (1995). Clinical pharmacokinetics: D. J. Kereiakes et al., ibid. 94, 906 (1996). Clinical evaluation in unstable angina: C. Simpfendorfer et al., ibid. 96, 76 (1997).
 
Derivative Type: Hydrochloride
CAS Registry Number: 156586-91-3
Manufacturers' Codes: SC-54684A
Molecular Formula: C18H22N4O4.HCl
Molecular Weight: 394.85
Percent Composition: C 54.75%, H 5.87%, N 14.19%, O 16.21%, Cl 8.98%
 
Derivative Type: Acid
CAS Registry Number: 149193-61-3
Manufacturers' Codes: SC-54701A
Molecular Formula: C16H18N4O4
Molecular Weight: 330.34
Percent Composition: C 58.17%, H 5.49%, N 16.96%, O 19.37%
Properties: [a]D -33.7° (c = 1.45 in methanol).
Optical Rotation: [a]D -33.7° (c = 1.45 in methanol)
 
Therap-Cat: Antithrombotic.
Keywords: Antithrombotic; Fibrinogen Receptor Antagonist.

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