(2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

Base Information

Chemical Name:(2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
CAS No.:135704-06-2
Molecular Formula:C33H52 N6 O7 S2
Molecular Weight:708.93
Hs Code.:
DSSTox Substance ID:DTXSID10929117
Wikidata:Q82903954

(2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

Synonyms:CI 992;CI-992;N-(4-morpholinylsulfonyl)-L-phenylalanyl-3-(2-amino-4-thiazolyl)-N-(1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl)-L-alaninamide

Suppliers and Price of (2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
CI-992
50mg
$ 19250.00

TRC
CI-992
10mg
$ 14025.00

Total 2 raw suppliers

Chemical Property of (2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

Chemical Property:

PSA：237.05000
Density:1.32g/cm³
LogP:4.32450
XLogP3:3.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:17
Exact Mass:708.33389037
Heavy Atom Count:48
Complexity:1090

Purity/Quality:

98% ^*data from raw suppliers

CI-992 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(C(CC1CCCCC1)NC(CC2=CSC(=N2)N)C(=O)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4)O)O
Isomeric SMILES:CC(C)C[C@@H]([C@@H]([C@H](CC1CCCCC1)N[C@@H](CC2=CSC(=N2)N)C(=O)NC(=O)[C@H](CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4)O)O
Uses CI-992, is a novel potent orally active renin inhibitor, that has been proved to be effective on blood pressure on normotensive and hypertensive monkeys. It is also a derivative of Zankiren (Z148060).

Technology Process of (2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

There total 12 articles about (2S)-N-[(2S)-3-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino]propanoyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide 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: 84.0%

: 135704-12-0
<1S-(1R*,2S*,3R*)>-N-(4-morpholinylsulfonyl)-L-phenylalanyl-N-<1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl>-3-<2-<<(2,2,2-trichloroethoxy)carbonyl>amino>-4-thiazolyl>-L-alaninamide

: 135704-06-2
PD 134672

Guidance literature:: With ammonium chloride; zinc; In tetrahydrofuran; methanol; for 9.5h; Ambient temperature;
DOI:10.1021/jm00092a006

Reference yield: 19.0%

: 135727-10-5
<1S-(1R*,2S*,3R*)>-N-(4-morpholinylsulfonyl)-L-phenylalanyl-N-<1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl>-3-<2-<<(phenylmethoxy)carbonyl>amino>-4-thiazolyl>-L-alaninamide

: 135704-06-2
PD 134672

Guidance literature:: With hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In methanol; for 6h; Ambient temperature;
DOI:10.1021/jm00092a006

Reference yield:

: 122621-77-6
(2S,3R,4S)-2-amino-1-cyclohexyl-3,4-dihydroxy-6-methylheptane

: 135704-06-2
PD 134672

Guidance literature:: Multi-step reaction with 4 steps

1: 73 percent / N-hydroxybenzotriazole (HOBT), dicyclohexylcarbodiimide (DCC) / dimethylformamide / 0 - 20 °C

2: 92 percent / HCl (gas) / CH₂Cl₂; methanol / Ambient temperature

3: 38 percent / N-hydroxybenzotriazole (HOBT), dicyclohexylcarbodiimide (DCC), triethylamine / dimethylformamide / 0 - 20 °C

4: 84 percent / NH₄Cl, Zn / tetrahydrofuran; methanol / 9.5 h / Ambient temperature

With hydrogenchloride; ammonium chloride; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; zinc; In tetrahydrofuran; methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00092a006