Unii-FS64O4K98A

Base Information

Chemical Name:Unii-FS64O4K98A
CAS No.:280780-95-2
Molecular Formula:C28H31N5O4S
Molecular Weight:533.651
Hs Code.:
UNII:FS64O4K98A
Pharos Ligand ID:Z81Q8PZ6T9MJ
ChEMBL ID:CHEMBL420540

Synonyms:LB 30870;LB-30870;LB30870;N-aminosulfonyl-D-diphenylalanyl-L-prolyl-((4-amidinophenyl)methyl)amide trifluoroacetic acid;N-aminosulfonyldiphenylalanyl-prolyl-((4-amidinophenyl)methyl)amide

Suppliers and Price of Unii-FS64O4K98A

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 0 raw suppliers

Chemical Property of Unii-FS64O4K98A

Chemical Property:

XLogP3:0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:533.20967566
Heavy Atom Count:38
Complexity:827

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)NCC(=O)O)C(=O)NCC4=CC=C(S4)C(=N)N
Isomeric SMILES:C1C[C@H](N(C1)C(=O)[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)NCC(=O)O)C(=O)NCC4=CC=C(S4)C(=N)N

Technology Process of Unii-FS64O4K98A

There total 10 articles about Unii-FS64O4K98A 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:

: 765-58-2
2-bromo-5-methyl thiophene

: 280780-95-2
2-{[(1R)-2-((2S)-2{[({5-[amino(imino)methyl]-2-thienyl}methyl)amino]carbonyl}-pyrrolidinyl)-1-benzhydryl-2-oxoethyl]amino}acetic acid

Guidance literature:: Multi-step reaction with 10 steps

1: dimethylformamide / Heating

2: 86 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / 6 h / Heating

3: NaH / tetrahydrofuran / 3 h

4: 2.4 g / HCl(g) / ethyl acetate / 0 - 20 °C

5: 86 percent / EDC; HOBT; Et₃N / dimethylformamide / 20 °C

6: 100 percent / HCl / ethyl acetate / 3 h / 20 °C

7: 72 percent / iPr₂NEt / acetonitrile / 48 h / 20 °C

8: 96 percent / aq. NH₂OH*HCl; Na₂CO₃ / ethanol / 1 h / Heating

9: 70 percent / H₂ / Pd/C / methanol / 8 h / 760 Torr

10: TFA / CH₂Cl₂ / 3.5 h

With hydrogenchloride; N-Bromosuccinimide; hydroxylamine hydrochloride; hydrogen; sodium hydride; sodium carbonate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; dibenzoyl peroxide; palladium on activated charcoal; In tetrahydrofuran; methanol; tetrachloromethane; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm030025j

Reference yield:

: 72835-25-7
2-cyano-5-methylthiophene

: 280780-95-2
2-{[(1R)-2-((2S)-2{[({5-[amino(imino)methyl]-2-thienyl}methyl)amino]carbonyl}-pyrrolidinyl)-1-benzhydryl-2-oxoethyl]amino}acetic acid

Guidance literature:: Multi-step reaction with 9 steps

1: 86 percent / N-bromosuccinimide; benzoyl peroxide / CCl₄ / 6 h / Heating

2: NaH / tetrahydrofuran / 3 h

3: 2.4 g / HCl(g) / ethyl acetate / 0 - 20 °C

4: 86 percent / EDC; HOBT; Et₃N / dimethylformamide / 20 °C

5: 100 percent / HCl / ethyl acetate / 3 h / 20 °C

6: 72 percent / iPr₂NEt / acetonitrile / 48 h / 20 °C

7: 96 percent / aq. NH₂OH*HCl; Na₂CO₃ / ethanol / 1 h / Heating

8: 70 percent / H₂ / Pd/C / methanol / 8 h / 760 Torr

9: TFA / CH₂Cl₂ / 3.5 h

With hydrogenchloride; N-Bromosuccinimide; hydroxylamine hydrochloride; hydrogen; sodium hydride; sodium carbonate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; dibenzoyl peroxide; palladium on activated charcoal; In tetrahydrofuran; methanol; tetrachloromethane; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm030025j

Reference yield:

: 134135-41-4
5-(bromomethyl)thiophene-2-carbonitrile

: 280780-95-2
2-{[(1R)-2-((2S)-2{[({5-[amino(imino)methyl]-2-thienyl}methyl)amino]carbonyl}-pyrrolidinyl)-1-benzhydryl-2-oxoethyl]amino}acetic acid

Guidance literature:: Multi-step reaction with 8 steps

1: NaH / tetrahydrofuran / 3 h

2: 2.4 g / HCl(g) / ethyl acetate / 0 - 20 °C

3: 86 percent / EDC; HOBT; Et₃N / dimethylformamide / 20 °C

4: 100 percent / HCl / ethyl acetate / 3 h / 20 °C

5: 72 percent / iPr₂NEt / acetonitrile / 48 h / 20 °C

6: 96 percent / aq. NH₂OH*HCl; Na₂CO₃ / ethanol / 1 h / Heating

7: 70 percent / H₂ / Pd/C / methanol / 8 h / 760 Torr

8: TFA / CH₂Cl₂ / 3.5 h

With hydrogenchloride; hydroxylamine hydrochloride; hydrogen; sodium hydride; sodium carbonate; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jm030025j