108890-90-0

Basic information

• Product Name: K-13 (ACE inhib)
• Synonyms: K-13 (ACE inhib);(9S,12S,15S)-15-(Acetylamino)-4-hydroxy-12-[(4-hydroxyphenyl)methyl]-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19(1),20-hexene-9-carboxylic acid;K-13(enzyme inhibitor)
• CAS NO: 108890-90-0
• Molecular Formula: C₂₉H₂₉N₃O₈
• Molecular Weight: 547.56
• Mol File: 108890-90-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 989.5°Cat760mmHg
• Flash Point: 552.2°C
• Appearance: /
• Density: 1.423g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.705
• CAS DataBase Reference: K-13 (ACE inhib)(CAS DataBase Reference)
• NIST Chemistry Reference: K-13 (ACE inhib)(108890-90-0)
• EPA Substance Registry System: K-13 (ACE inhib)(108890-90-0)

Safety Data

• Hazardous Substances Data: 108890-90-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C29H29N3O8/c1-17(33)31-24(13-19-4-9-23(35)10-5-19)28(38)32-21(12-18-2-7-22(34)8-3-18)16-30-25(29(39)40)14-20-6-11-26(36)27(37)15-20/h2-11,13-15,21,30,34-37H,12,16H2,1H3,(H,31,33)(H,32,38)(H,39,40)/b24-13-,25-14+/t21-/m0/s1

Upstream product

• 120363-27-1 Methyl (9S,12S,15S)-15-(acetylamino)-4-hydroxy-12-<(4-hydroxyphenyl)methyl>-11,14-dioxo-2-oxa-10,13-diazatricyclo<15.2.2.1^3,7>docosa-3,5,7(22),17,19,20-hexaene-9-carboxylate 
• 112920-92-0 <9S-(9R*,12R*,15R*)>-methyl 15--4-methoxy-12-<(4-methoxyphenyl)methyl>-11,14-dioxo-2-oxa-10,13-diazatricyclo<15.2.2.1^3,7>docosa-3,5,7(22),17,19,20-hexaene-9-carboxylate 
• 118493-33-7 (9S,12S,15S)-15-Acetylamino-4-methoxy-12-(4-methoxy-benzyl)-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3,5,7⁽²²⁾,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester 
• 903523-86-4 (9S,12S,15S)-4-benzyloxy-15-dibenzylamino-12-(4-hydroxybenzyl)-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid benzyl ester 
• 108-24-7 acetic anhydride 
• 903523-81-9 (S)-3-(4-benzyloxy-3-hydroxyphenyl)-2-(tritylamino)propionic acid benzyl ester 
• 903523-84-2 (S)-3-{4-benzyloxy-3-[4-((S)-2-dibenzylamino-2-methoxycarbonylethyl)phenoxy]phenyl}-2-(tritylamino)propionic acid benzyl ester 
• 903523-87-5 (S)-3-(4-{2-Benzyloxy-5-[(S)-2-benzyloxycarbonyl-2-(trityl-amino)-ethyl]-phenoxy}-phenyl)-2-dibenzylamino-propionic acid 
• 120363-14-6 N-<(Phenylmethoxy)carbonyl>-O-(phenylmethyl)-3-<4-<(1,1-dimethylethoxy)carbonyl>phenoxy>-L-tyrosine methyl ester 
• 120363-15-7 N-<(Phenylmethoxy)carbonyl>-O-(phenylmethyl)-3-(4-carboxyphenoxy)-L-tyrosine methyl ester 
• 120363-52-2 (S)-2-((S)-3-{4-[5-((S)-2-Amino-2-methoxycarbonyl-ethyl)-2-hydroxy-phenoxy]-phenyl}-2-tert-butoxycarbonylamino-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid pentafluorophenyl ester; hydrochloride 
• 120363-51-1 (S)-2-((S)-3-{4-[5-((S)-2-Amino-2-methoxycarbonyl-ethyl)-2-hydroxy-phenoxy]-phenyl}-2-tert-butoxycarbonylamino-propionylamino)-3-(4-hydroxy-phenyl)-propionic acid; hydrochloride 
• 129151-09-3 (9S,12S,15S)-15-Amino-4-hydroxy-12-(4-hydroxy-benzyl)-11,14-dioxo-2-oxa-10,13-diaza-tricyclo[15.2.2.1^3,7]docosa-1⁽²⁰⁾,3⁽²²⁾,4,6,17⁽²¹⁾,18-hexaene-9-carboxylic acid methyl ester; hydrochloride 
• 105229-41-2 2-Benzyloxycarbonylamino-3-(4-benzyloxy-3-hydroxy-phenyl)-propionic acid methyl ester 

Relevant articles and documents

Application of Negishi cross-coupling to the synthesis of the cyclic tripeptides OF4949-III and K-13

(Chemical Equation Presented) Syntheses of the cyclic tripeptides OF4949-III 1 and K-13 2 are reported, in which the key steps are intermolecular and intramolecular Negishi cross-coupling reactions, respectively. In addition, the synthesis of a protected

Mild Ullmann-type biaryl ether formation reaction by combination of ortho-substituent and ligand effects

(Chemical Equation Presented) An important position: A strong orthosubstituent effect caused by NHCOR groups in 2-haloacetanilides in combination with the ligand effect greatly promotes an Ullmann-type biaryl formation reaction that takes place at room te

Total synthesis of the cyclic biphenyl ether peptides K-13 and OF494-III via S(N)Ar macrocyclizations of peptidyl ruthenium π-arene complexes

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