methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate

Base Information

Chemical Name:methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate
CAS No.:134452-04-3
Molecular Formula:C₃₁H₅₀N₄O₉S
Molecular Weight:654.825
Hs Code.:
DSSTox Substance ID:DTXSID30928627
Mol file:134452-04-3.mol

methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate

Synonyms:3-((1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)amino)-N-(N-(4-morpholinosulfonyl)phenylalanyl)-3-oxo-DL-alanine methyl ester;PD 132002;PD-132002

Suppliers and Price of methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate

Supply Marketing:

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

Manufacturers and distributors:

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Total 2 raw suppliers

Chemical Property of methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate

Chemical Property:

Density:1.28g/cm³
XLogP3:3.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:17
Exact Mass:654.32985036
Heavy Atom Count:45
Complexity:1040

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(C(CC1CCCCC1)NC(C(=O)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)C(=O)OC)O)O
Isomeric SMILES:CC(C)C[C@@H](C([C@H](CC1CCCCC1)N[C@H](C(=O)NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)C(=O)OC)O)O

Technology Process of methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate

There total 3 articles about methyl (2R)-2-[[(2S,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]-3-[[(2S)-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanoyl]amino]-3-oxopropanoate 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: 52.0%

: 104882-45-3
(S)-2-amino-1-cyclohexyl-(R)-3,(S)-4-dihydroxy-6-methylheptane hydrochloride

: 131176-63-1
N-(4-morpholinylsulfonyl)-L-phenylalanyl-DL-2-(methoxycarbonyl)glycine methyl ester

: 127953-03-1,134452-03-2,134452-04-3,142185-72-6
PD 132002

Guidance literature:: With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide; 1.) 0 deg C - RT, 2.) RT, overnight;
DOI:10.1021/jm00111a002

Reference yield:

: 124278-39-3
N-(4-MorpholinYlsulfonyl)-L-phenylalanine

: 127953-03-1,134452-03-2,134452-04-3,142185-72-6
PD 132002

Guidance literature:: Multi-step reaction with 3 steps

1: 67 percent / dicyclohexylcarbodiimide, HOBT, triethylamine / CH₂Cl₂; dimethylformamide

2: 97.4 percent / H₂ / 20percent Pd/C / methanol / 2 h

3: 52 percent / HOBT, triethylamine, dicyclohexylcarbodiimide / CH₂Cl₂; dimethylformamide / 1.) 0 deg C - RT, 2.) RT, overnight

With hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00111a002

Reference yield:

: 127953-31-5
2-[(S)-2-(Morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-malonic acid benzyl ester methyl ester

: 127953-03-1,134452-03-2,134452-04-3,142185-72-6
PD 132002

Guidance literature:: Multi-step reaction with 2 steps

1: 97.4 percent / H₂ / 20percent Pd/C / methanol / 2 h

2: 52 percent / HOBT, triethylamine, dicyclohexylcarbodiimide / CH₂Cl₂; dimethylformamide / 1.) 0 deg C - RT, 2.) RT, overnight

With hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00111a002