Melagatran

Melagatran is a peptidomimetic scaffold studied for its interactions with serine-protease active sites. The molecule incorporates noncanonical functional groups enabling tight binding and hydrogen-bond complementarity. Researchers explore its conformational landscape to understand enzyme-ligand complementarity. Applications include mechanistic enzymology, inhibitor-design studies, and structure-activity evaluation.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
Melagatran(CAS 159776-70-2)

CAT No: R2611

CAS No:159776-70-2

Synonyms/Alias:Melagatran;159776-70-2;Melagatran [INN];UNII-2A9QP32MD4;Melagatran (INN);2A9QP32MD4;CHEBI:43966;MELAGATRAN [MI];2-[[(1R)-2-[(2S)-2-[(4-carbamimidoylphenyl)methylcarbamoyl]azetidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]acetic acid;MELAGATRAN [MART.];MELAGATRAN [WHO-DD];N-((R)-(((2S)-2-((-p-Amidobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine;Glycine, N-[(1R)-2-[(2S)-2-[[[[4-(aminoiminomethyl)phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]-;DTXSID30166724;H-319/68;159776-70-2 (free base);[((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}-1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID;N-[(1R)-2-[(2S)-2-[[[[4-(Aminoiminomethyl)phenyl]methyl]amino]carbonyl]-1-azetidinyl]-1-cyclohexyl-2-oxoethyl]glycine;MELAGATRAN (MART.);2-(((R)-2-((S)-2-((4-Carbamimidoylbenzyl)carbamoyl)azetidin-1-yl)-1-cyclohexyl-2-oxoethyl)amino)acetic acid;Glycine, N-((1R)-2-((2S)-2-((((4-(aminoiminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-1-cyclohexyl-2-oxoethyl)-;Glycine, N-(2-(2-((((4-(aminoiminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-1-cyclohexyl-2-oxoethyl)-, (S-(R*,S*))-;N-[(1R)-2-{(2S)-2-[(4-carbamimidoylbenzyl)carbamoyl]azetidin-1-yl}-1-cyclohexyl-2-oxoethyl]glycine;H-319-68;((R)-2-((S)-2-((4-carbamimidoylbenzyl)carbamoyl)azetidin-1-yl)-1-cyclohexyl-2-oxoethyl)glycine;melagatranum;MELAGATRAN (ASTRA-ZENECA);2-(((1R)-2-((2S)-2-((4-carbamimidoylphenyl)methylcarbamoyl)azetidin-1-yl)-1-cyclohexyl-2-oxoethyl)amino)acetic acid;N-((1R)-2-((2S)-2-((((4-(Aminoiminomethyl)phenyl)methyl)amino)carbonyl)-1-azetidinyl)-1-cyclohexyl-2-oxoethyl)glycine;N-((1R)-2-((2S)-2-((4-carbamimidoylbenzyl)carbamoyl)azetidin-1-yl)-1-cyclohexyl-2-oxoethyl)glycine;Melagatran AstraZeneca;SCHEMBL27652;CHEMBL266349;GTPL6382;DTXCID1089215;BDBM29388;B01AE04;1k22;EX-A11153;AKOS022181213;DB13616;N-((R)-(((2S)-2-((p-Amidinobenzyl)carbamoyl)-1-azetidinyl)carbonyl)cyclohexylmethyl)glycine;DA-65325;TS-07835;HY-129056;CS-0103405;NS00009077;C21551;D07143;G12919;Q27084209;

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cGMP Peptide
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  • CMC information required for an IND
  • IND and NDA support
  • Drug master files (DMF) filing
M.F/Formula
C22H31N5O4
M.W/Mr.
429.5
Sequence
Three Letter Code:HOCOCH2-D-Chg-Aze-NHBn(4-amidino)
InChI
InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
InChI Key
DKWNMCUOEDMMIN-PKOBYXMFSA-N

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