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CAS 107-96-0
3-mercaptopropanoic acid3-Sulfanylpropanoic acidbeta-Thiopropionic acid
Codes: BATIF-014, Atosiban-048, Atosiban-091, EPTI-050
Application context (from source-drug indications)
Acute coronary syndromeBevifibatide CitrateUnstable anginaBevifibatide Citrate非ST段抬高型心肌梗死Bevifibatide CitrateIschaemic heart diseaseBevifibatide CitrateMyocardial infarctionBevifibatide CitrateAngina pectorisBevifibatide Citrate产科分娩（早产）Atosiban acetate早产（孕37周前）Atosiban acetateEndometriosisAtosiban acetateUnstable anginaEptifibatideMyocardial infarctionEptifibatideIschaemic strokeEptifibatideAcute coronary syndromeEptifibatideSickle cell diseaseEptifibatideST段抬高型心肌梗死Eptifibatide
Source drugs (routes using this intermediate)
| Drug | Tier | Expiry |
|---|---|---|
| Bevifibatide Citrate | Tier C — Watch / trade | - |
| Atosiban acetate | Tier C — Watch / trade | - |
| Eptifibatide | Tier C — Watch / trade | - |
Position in synthesis routes (up/downstream chain)
Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.
BATIF-001→N-(((9H-fluoren-9-yl)methoxy)carbonyl)-S-trityl-L-cysteine→(9H-fluoren-9-yl)methyl (R)-(1-(methylamino)-1-oxo-3-(tritylthio)propan-2-yl)carbamate→(((9H-fluoren-9-yl)methoxy)carbonyl)-L-proline→(9H-fluoren-9-yl)methyl (S)-2-(((R)-1-(methylamino)-1-oxo-3-(tritylthio)propan-2-yl)carbamoyl)pyrrolidine-1-carboxylate→Na-(((9H-fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)-L-tryptophan→tert-butyl 3-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-((S)-2-(((R)-1-(methylamino)-1-oxo-3-(tritylthio)propan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-oxopropyl)-1H-indole-1-carboxylate→(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid→tert-butyl 3-((S)-2-((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanamido)-3-((S)-2-(((R)-1-(methylamino)-1-oxo-3-(tritylthio)propan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-oxopropyl)-1H-indole-1-carboxylate→(((9H-fluoren-9-yl)methoxy)carbonyl)glycine→tert-butyl 3-((8S,11S)-8-(2-(tert-butoxy)-2-oxoethyl)-1-(9H-fluoren-9-yl)-11-((S)-2-(((R)-1-(methylamino)-1-oxo-3-(tritylthio)propan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-3,6,9-trioxo-2-oxa-4,7,10-triazadodecan-12-yl)-1H-indole-1-carboxylate→N2-(((9H-fluoren-9-yl)methoxy)carbonyl)-Nw-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)-L-arginine→tert-butyl 3-((5S,11S,14S)-11-(2-(tert-butoxy)-2-oxoethyl)-1-(9H-fluoren-9-yl)-14-((S)-2-(((R)-1-(methylamino)-1-oxo-3-(tritylthio)propan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-3,6,9,12-tetraoxo-5-(3-(3-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)guanidino)propyl)-2-oxa-4,7,10,13-tetraazapentadecan-15-yl)-1H-indole-1-carboxylate→3-mercaptopropanoic acid→tert-butyl 3-((6S,12S,15S)-12-(2-(tert-butoxy)-2-oxoethyl)-1-imino-6-(3-mercaptopropanamido)-15-((S)-2-(((R)-1-(methylamino)-1-oxo-3-(tritylthio)propan-2-yl)carbamoyl)pyrrolidine-1-carbonyl)-7,10,13-trioxo-1-((2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran)-5-sulfonamido)-2,8,11,14-tetraazahexadecan-16-yl)-1H-indole-1-carboxylate→(S)-4-(((S)-1-((S)-2-(((R)-1-amino-3-mercapto-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(2-((S)-5-guanidino-2-(3-mercaptopropanamido)pentanamido)acetamido)-4-oxobutanoic acid
1-(Bromomethyl)benzene→3-Sulfanylpropanoic acid→Methyl N-[3-(benzylsulfanyl)propanoyl]-D-tyrosinate→3-(Benzylsulfanyl)propanoic acid→3-(Benzylsulfanyl)propanoyl chloride→Methyl D-tyrosinate→2(R)-Amino-3-(4-hydroxyphenyl)propionic acid→1-Iodoethane→Methyl N-[3-(benzylsulfanyl)propanoyl]-O-ethyl-D-tyrosinate→3-(Benzylsulfanyl)-N-[(2R)-3-(4-ethoxyphenyl)-1-hydrazino-1-oxopropan-2-yl]propanamide
2-Propenoic acid→beta-Thiopropionic acid
(S)-4-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) 2-(((benzyloxy)carbonyl)amino)succinate→(S)-1-((S)-2-amino-3-(1H-indol-3-yl)propanoyl)pyrrolidine-2-carboxylic acid→(S)-1-((S)-2-((S)-2-(((benzyloxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanamido)-3-(1H-indol-3-yl)propanoyl)pyrrolidine-2-carboxylic acid→(S)-1-((S)-2-((S)-2-amino-4-(tert-butoxy)-4-oxobutanamido)-3-(1H-indol-3-yl)propanoyl)pyrrolidine-2-carboxylic acid→(S)-2-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-6-guanidinohexanamido)acetic acid→(S)-1-((5S,11S,14S)-14-((1H-indol-3-yl)methyl)-11-(2-(tert-butoxy)-2-oxoethyl)-1-(9H-fluoren-9-yl)-5-(4-guanidinobutyl)-3,6,9,12-tetraoxo-2-oxa-4,7,10,13-tetraazapentadecan-15-oyl)pyrrolidine-2-carboxylic acid→(R)-2-amino-3-((3-nitropyridin-2-yl)disulfanyl)propanamide hydrochloride→(5S,11S)-tert-butyl 11-(((S)-1-((S)-2-(((R)-1-amino-3-((3-nitropyridin-2-yl)disulfanyl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)-1-(9H-fluoren-9-yl)-5-(4-guanidinobutyl)-3,6,9-trioxo-2-oxa-4,7,10-triazatridecan-13-oate→3-mercaptopropanoic acid→3-(((R)-2-((S)-1-((5S,11S,14S)-14-((1H-indol-3-yl)methyl)-11-(2-(tert-butoxy)-2-oxoethyl)-1-(9H-fluoren-9-yl)-5-(4-guanidinobutyl)-3,6,9,12-tetraoxo-2-oxa-4,7,10,13-tetraazapentadecan-15-oyl)pyrrolidine-2-carboxamido)-3-amino-3-oxopropyl)disulfanyl)propanoic acid
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