Kynostatin 272

Base Information

Chemical Name:Kynostatin 272
CAS No.:147318-81-8
Molecular Formula:C33H41 N5 O6 S2
Molecular Weight:667.85
Hs Code.:
UNII:MUL0OE3YBF
Nikkaji Number:J1.635.690E
Wikidata:Q27149154
NCI Thesaurus Code:C29140
ChEMBL ID:CHEMBL414640
Mol file:147318-81-8.mol

Synonyms:KNI 272;KNI-272;kynostatin;kynostatin 272;kynostatin-272

Suppliers and Price of Kynostatin 272

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

Total 4 raw suppliers

Chemical Property of Kynostatin 272

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.6460 (estimate)
Boiling Point:1045.3°Cat760mmHg
Flash Point:586°C
PSA：200.56000
Density:1.301g/cm³
LogP:3.47660
Water Solubility.:4.2mg/L(25 oC)
XLogP3:3.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:14
Exact Mass:667.24982639
Heavy Atom Count:46
Complexity:1040

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O
Isomeric SMILES:CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O

Technology Process of Kynostatin 272

There total 9 articles about Kynostatin 272 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:

: 62023-65-8,76498-21-0,77171-41-6,82848-28-0,105181-72-4,116661-86-0
(2S,3S)-3-tert-butoxycarbonylamino-2-hydroxy-4-phenylbutanoic acid

: 147318-81-8
Kynostatin 272

Guidance literature:: Multi-step reaction with 5 steps

1: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl / dimethylformamide

2: 85 percent / HCl / dioxane; CH₂Cl₂ / 2 h

3: 84 percent / 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl / dimethylformamide

4: HCl / dioxane; CH₂Cl₂ / 2 h

5: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

With hydrogenchloride; TEA; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1248/cpb.48.1310

Reference yield:

: 148982-94-9
N-tert-butyl-3-(tert-butoxycarbonyl)thiazolidine-4-carboxamide

: 147318-81-8
Kynostatin 272

Guidance literature:: Multi-step reaction with 6 steps

1: 84 percent / HCl / dioxane; CH₂Cl₂ / 2 h

2: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl / dimethylformamide

3: 85 percent / HCl / dioxane; CH₂Cl₂ / 2 h

4: 84 percent / 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl / dimethylformamide

5: HCl / dioxane; CH₂Cl₂ / 2 h

6: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

With hydrogenchloride; TEA; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1248/cpb.48.1310

Reference yield:

: 158941-63-0
(R)-N-tert-butyl-3-<(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoyl>-1,3-thiazolidine-4-carboxamide

: 147318-81-8
Kynostatin 272

Guidance literature:: Multi-step reaction with 3 steps

1: 84 percent / 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl / dimethylformamide

2: HCl / dioxane; CH₂Cl₂ / 2 h

3: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

With hydrogenchloride; TEA; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1248/cpb.48.1310