Home > Name List By e > ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate

CAS No 149820-74-6 , ethyl
(3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate

  • Name: ethyl
    (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate
  • Synonyms: Xemilofiban [INN]; Ethyl-3S-((4-((4-(aminoiminomethyl)phenyl)amino)-1,4-dioxobutyl)amino)-4-pentynoate; SC-54684; SC 54684A; SC-54684A;ethyl
    (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate;
  • CAS Registry Number:
  • Flash Point: °C
  • Boiling Point: °Cat760mmHg
  • Density: 1.22g/cm3
  • Refractive index: 1.571
  • Flash Point: °C
  • Molecular Weight: 358.39168
  • InchiKey: ZHCINJQZDFCSEL-CYBMUJFWSA-N
  • InChI: InChI=1S/C18H22N4O4/c1-3-13(11-17(25)26-4-2)21-15(23)9-10-16(24)22-14-7-
    5-12(6-8-14)18(19)20/h1,5-8,13H,4,9-11H2,2H3,(H3,19,20)(H,21,23)(H,22,
    24)/t13-/m1/s1
  • Molecular Formula: C18H22N4O4
  • Molecular Structure:CAS No:149820-74-6 ethyl<br />(3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate

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149820-74-6 XEMILOFIBAN

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149820-74-6 4-Pentynoic acid,3-[[4-[[4-(aminoiminomethyl)phenyl]amino]-1,4-dioxobutyl]amino]-, ethyl ester,(3S)-

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References of ethyl
(3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate
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
Synonyms: 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.