L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-

Base Information

Chemical Name:L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-
CAS No.:187735-94-0
Molecular Formula:C₃₆H₄₈N₆O₉
Molecular Weight:708.812
Hs Code.:
UNII:61G4E2353I
Nikkaji Number:J1.095.221B
Wikidata:Q27075284
ChEMBL ID:CHEMBL88478

Synonyms:BIO 1211;BIO-1211;N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-leucyl-aspartyl-valyl-proline

Suppliers and Price of L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-

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

Usbiological
BIO 1211
1mg
$ 423.00

TRC
BIO1211
5mg
$ 730.00

Tocris
BIO1211
1
$ 184.00

ApexBio Technology
BIO1211
1mg
$ 266.00

American Custom Chemicals Corporation
BIO-1211 95.00%
5MG
$ 786.45

American Custom Chemicals Corporation
BIO-1211 95.00%
1MG
$ 697.34

Total 12 raw suppliers

Chemical Property of L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-

Chemical Property:

Boiling Point:962.214 °C at 760 mmHg
PKA:3.40±0.20(Predicted)
Flash Point:535.728 °C
PSA：237.30000
Density:1.306 g/cm³
LogP:5.43370
Storage Temp.:Store at -20°C
Solubility.:Soluble to 2 mg/ml in 0.2M PBS
XLogP3:3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:16
Exact Mass:708.34827713
Heavy Atom Count:51
Complexity:1250

Purity/Quality:

97% ^*data from raw suppliers

BIO 1211 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)O
Isomeric SMILES:CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)O
Uses BIO 1211 is a selective, high affinity α4β1 (VLA-4) inhibitor.

Technology Process of L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-

There total 12 articles about L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl- 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: 91.0%

: 224577-21-3
N-<<4-<<<(2-methylphenyl)amino>carbonyl>amino>phenyl>acetyl>-L-leucyl-L-(α-O-benzylaspartyl)-L-valyl-O-benzyl proline

: 187735-94-0
N-[[4-[[[(2-methylphenyl)amino]carbonyl]amino]-phenyl]acetyl]-L-leucyl-L-aspartyl-L-valyl-L-proline

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; water; for 3h; under 2327.17 Torr;
DOI:10.1021/jm980673g

Reference yield:

: 3392-12-9
Boc-Val-ONSu

: 187735-94-0
N-[[4-[[[(2-methylphenyl)amino]carbonyl]amino]-phenyl]acetyl]-L-leucyl-L-aspartyl-L-valyl-L-proline

Guidance literature:: Multi-step reaction with 8 steps

1: Et₃N / CH₂Cl₂ / 1 h / Ambient temperature

2: 4 M HCl / dioxane / 2 h / Ambient temperature

3: Et₃N / CH₂Cl₂ / 1 h / Ambient temperature

4: 4 M HCl / dioxane / 2 h / Ambient temperature

5: Et₃N / CH₂Cl₂ / 1 h / Ambient temperature

6: 4 M HCl / dioxane / 2 h / Ambient temperature

7: 85 percent / EDC, HOBt, Et₃N / dimethylformamide / 20 h / Ambient temperature

8: 91 percent / H₂ / 10 percent Pd/C / tetrahydrofuran; H₂O / 3 h / 2327.17 Torr

With hydrogenchloride; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; N,N-dimethyl-formamide;
DOI:10.1021/jm980673g

Reference yield:

: 1197-55-3
4-aminophenylacetic acid

: 187735-94-0
N-[[4-[[[(2-methylphenyl)amino]carbonyl]amino]-phenyl]acetyl]-L-leucyl-L-aspartyl-L-valyl-L-proline

Guidance literature:: Multi-step reaction with 3 steps

1: 75 percent / dimethylformamide / 1 h

2: 85 percent / EDC, HOBt, Et₃N / dimethylformamide / 20 h / Ambient temperature

3: 91 percent / H₂ / 10 percent Pd/C / tetrahydrofuran; H₂O / 3 h / 2327.17 Torr

With hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; palladium on activated charcoal; In tetrahydrofuran; water; N,N-dimethyl-formamide;
DOI:10.1021/jm980673g