1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R(R),2S,3S,4S(1R,2R*)))-

Base Information

Chemical Name:1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-
CAS No.:112190-15-5
Molecular Formula:C₄₂H₅₇N₇O₇
Molecular Weight:771.957
Hs Code.:
DSSTox Substance ID:DTXSID90149937
Nikkaji Number:J425.776F
ChEMBL ID:CHEMBL301833

1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-

Synonyms:CHEMBL301833;112190-15-5;1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-;DTXSID90149937;BDBM50000696;(2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isopropyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide;1H-Imidazole-4-propanamide, N-[2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]hexyl]-.alpha.-[[(1-naphthalenyloxy)acetyl]amino]-, [1S-[1R*(R*),2S*,3S*,4S*(1R*,2R*)]]-

Suppliers and Price of 1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1129.2°Cat760mmHg
Flash Point:636.7°C
Density:1.214g/cm³
XLogP3:4.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:21
Exact Mass:771.43194718
Heavy Atom Count:56
Complexity:1240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(C(C)C)C(C(C(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)COC3=CC=CC4=CC=CC=C43)O)O
Isomeric SMILES:CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)COC3=CC=CC4=CC=CC=C43)O)O)C(C)C

Technology Process of 1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-

There total 9 articles about 1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-5-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)hexyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 4-{(S)-2-((1S,2R,3R,4R)-2,3-Dihydroxy-1-isobutyl-5-methyl-4-{(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butylcarbamoyl}-hexylcarbamoyl)-2-[2-(naphthalen-1-yloxy)-acetylamino]-ethyl}-imidazole-1-carboxylic acid tert-butyl ester

: 112190-15-5
(2R,3R,4R,5S)-3,4-Dihydroxy-5-{(S)-3-(1H-imidazol-4-yl)-2-[2-(naphthalen-1-yloxy)-acetylamino]-propionylamino}-2-isopropyl-7-methyl-octanoic acid {(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 0.25h;
DOI:10.1021/jm00112a005

Reference yield:

: 97920-16-6
N-L-isoleucyl-2-pyridylmethylamine

: 112190-15-5
(2R,3R,4R,5S)-3,4-Dihydroxy-5-{(S)-3-(1H-imidazol-4-yl)-2-[2-(naphthalen-1-yloxy)-acetylamino]-propionylamino}-2-isopropyl-7-methyl-octanoic acid {(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide

Guidance literature:: Multi-step reaction with 4 steps

1: diisopropylethylamine, diethylphosphoryl cyanide / CH₂Cl₂ / 14 h / Ambient temperature

2: acetyl chloride, ethanedithiol / methanol / 5 h

3: diisopropylethylamine, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate / CH₂Cl₂ / 14 h

4: trifluoroacetic acid / CH₂Cl₂ / 0.25 h

With ethandithiol; diethylphosphoryl cyanide; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; acetyl chloride; trifluoroacetic acid; In methanol; dichloromethane;
DOI:10.1021/jm00112a005

Reference yield:

: 107600-03-3
2(R)-<5(R)-<1(S)-<(tert-butyloxycarbonyl)amino>-3-methylbutyl>-2,2-dimethyl-4(R)-dioxolanyl>-3-methylbutanoic acid

: 112190-15-5
(2R,3R,4R,5S)-3,4-Dihydroxy-5-{(S)-3-(1H-imidazol-4-yl)-2-[2-(naphthalen-1-yloxy)-acetylamino]-propionylamino}-2-isopropyl-7-methyl-octanoic acid {(1S,2S)-2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-butyl}-amide

Guidance literature:: Multi-step reaction with 4 steps

1: diisopropylethylamine, diethylphosphoryl cyanide / CH₂Cl₂ / 14 h / Ambient temperature

2: acetyl chloride, ethanedithiol / methanol / 5 h

3: diisopropylethylamine, (benzotriazol-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate / CH₂Cl₂ / 14 h

4: trifluoroacetic acid / CH₂Cl₂ / 0.25 h

With ethandithiol; diethylphosphoryl cyanide; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; acetyl chloride; trifluoroacetic acid; In methanol; dichloromethane;
DOI:10.1021/jm00112a005