Cdr factor

Base Information

• Chemical Name: Cdr factor
• CAS No.: 89873-36-9
• Molecular Formula: C34H44 N4 O15
• Molecular Weight: 748.741
• Mol file: 89873-36-9.mol

Synonyms:7-(((S)-4-(((S)-4-amino-1-carboxy-4-oxobutyl)(4-((5-(aminomethyl)furan-3-yl)methoxy)phenethyl)amino)-1-carboxy-4-oxobutyl)amino)-7-oxoheptane-1,3,4-tricarboxylic acid;7-[[(1S)-4-[[(1S)-4-Amino-1-carboxy-4-oxobutyl]-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethyl]amino]-1-carboxy-4-oxobutyl]amino]-7-oxoheptane-1,3,4-tricarboxylic acid;L-glutamine, N-(4,5,7-tricarboxy-1-oxoheptyl)-L-gamma-glutamyl-N~2~-[2-[4-[[5-(aminomethyl)-3-furanyl]methoxy]phenyl]ethyl]-

Chemical Property of Cdr factor

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1088.1°C at 760 mmHg
• Flash Point: 611.9°C
• PSA: 331.87000
• Density: 1.424g/cm³
• LogP: 3.49360
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 26
• Exact Mass: 748.28031671
• Heavy Atom Count: 53
• Complexity: 1290

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCN(C(CCC(=O)N)C(=O)O)C(=O)CCC(C(=O)O)NC(=O)CCC(C(CCC(=O)O)C(=O)O)C(=O)O)OCC2=COC(=C2)CN
• Isomeric SMILES: C1=CC(=CC=C1CCN([C@@H](CCC(=O)N)C(=O)O)C(=O)CC[C@@H](C(=O)O)NC(=O)CCC(C(CCC(=O)O)C(=O)O)C(=O)O)OCC2=COC(=C2)CN

Technology Process of Cdr factor

There total 20 articles about Cdr factor 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: 60.0%

3-phenoxymethyl>-5-(((tert-butoxycarbonyl)amino)methyl)furan, di-tert-butyl ester → 4-(N-(4,5,7-tricarboxyheptanoyl-γ-L-glutamyl-γ-L-glutamyl)-p-(β-aminoethyl)phenoxymethyl)-2-(aminomethyl)furan (89873-36-9)

Guidance literature:

With trifluoroacetic acid; for 0.5h;

DOI:10.1021/ja00068a022

Reference yield:

1-tert-butyl 5-methyl (2S)-2-{[(benzyloxy)carbonyl]amino}pentanedioate (57732-63-5) → 4-(N-(4,5,7-tricarboxyheptanoyl-γ-L-glutamyl-γ-L-glutamyl)-p-(β-aminoethyl)phenoxymethyl)-2-(aminomethyl)furan (89873-36-9)

Guidance literature:

Multi-step reaction with 7 steps

1: NaOH

2: dicyclohexylcarbodiimide (DCC) / CH₂Cl₂

3: 88 percent / H₂, 1 M methanolic HCl / 5percent Pd/C / methanol / 5 h

4: 73 percent / dicyclohexylcarbodiimide (DCC) / CH₂Cl₂ / Ambient temperature

5: 0.25 g / aq. NaOH / methanol / 2 h / Ambient temperature

6: 32 percent / dicyclohexylcarbodiimide (DCC), 4-(dimethylamino)pyridine / CH₂Cl₂ / Ambient temperature

7: 60 percent / trifluoroacetic acid (TFA) / 0.5 h

With hydrogenchloride; dmap; sodium hydroxide; hydrogen; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/ja00068a022

Reference yield:

L-glutamic acid 1-tert-butyl ester 5-methyl ester (79640-72-5) → 4-(N-(4,5,7-tricarboxyheptanoyl-γ-L-glutamyl-γ-L-glutamyl)-p-(β-aminoethyl)phenoxymethyl)-2-(aminomethyl)furan (89873-36-9)

Guidance literature:

Multi-step reaction with 6 steps

1: dicyclohexylcarbodiimide (DCC) / CH₂Cl₂

2: 88 percent / H₂, 1 M methanolic HCl / 5percent Pd/C / methanol / 5 h

3: 73 percent / dicyclohexylcarbodiimide (DCC) / CH₂Cl₂ / Ambient temperature

4: 0.25 g / aq. NaOH / methanol / 2 h / Ambient temperature

5: 32 percent / dicyclohexylcarbodiimide (DCC), 4-(dimethylamino)pyridine / CH₂Cl₂ / Ambient temperature

6: 60 percent / trifluoroacetic acid (TFA) / 0.5 h

With hydrogenchloride; dmap; sodium hydroxide; hydrogen; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/ja00068a022

upstream raw materials:

tyrosamine

Dimethyl glutarate

1-tert-butyl 5-methyl (2S)-2-{[(benzyloxy)carbonyl]amino}pentanedioate

L-glutamic acid 1-tert-butyl ester 5-methyl ester