Benzyl (S)-(4-(amidinoamino)-1-(((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)carbonyl)butyl)carbamate monohydrochloride

Base Information

• Chemical Name: Benzyl (S)-(4-(amidinoamino)-1-(((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)carbonyl)butyl)carbamate monohydrochloride
• CAS No.: 70375-22-3
• Molecular Formula: C24H28ClN5O5
• Molecular Weight: 501.97
• European Community (EC) Number: 274-586-3
• DSSTox Substance ID: DTXSID30220638
• Mol file: 70375-22-3.mol

Synonyms:70375-22-3;Z-Arg-Amc HCl;EINECS 274-586-3;Z-L-Arg 7-amido-4-methylcoumarin hydrochloride;Benzyl (S)-(4-(amidinoamino)-1-(((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)carbonyl)butyl)carbamate monohydrochloride;Z-Arg-AMC (hydrochloride);N-alpha-CBZ-L-Arginine 7-amido-4-methylcoumarin hydrochloride;Z-(L-Arg)-AMC (hydrochloride);Benzyl N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamate;hydrochloride;Benzyl (S)-(5-guanidino-1-((4-methyl-2-oxo-2H-chromen-7-yl)amino)-1-oxopentan-2-yl)carbamate hydrochloride;Z-Arg-Amc hydrochloride;SCHEMBL380911;DTXSID30220638;4-(methylsulfonylamino)benzamidoxime;benzyl N-[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl]carbamate hydrochloride;MFCD00039019;AKOS030632533;N-alpha-Benzyloxycarbonyl-L-arginine 7-amido-4-methylcoumarin hydrochloride;HY-134435;CS-0142243;NS00037051;C-2100;7-(Nalpha -carbobenzoxy-L-arginyl)amino-4-methyl-coumarin hydrochloric acid salt;7-(Nalpha -carbobenzoxy-L-arginyl)amino-4-methylcoumarin hydrochloric acid salt;(S)-benzyl 5-guanidino-1-(4-methyl-2-oxo-2H-chromen-7-ylamino)-1-oxopentan-2-ylcarbamate hydrochloride;Carbamic acid,[(1S)-4-[(aminoiminomethyl)amino]-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]butyl]-,phenylmethyl ester,monohydrochloride(9ci)

Chemical Property of Benzyl (S)-(4-(amidinoamino)-1-(((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)carbonyl)butyl)carbamate monohydrochloride

Chemical Property:

• Vapor Pressure: 1.25E-25mmHg at 25°C
• Melting Point: 204-205 °C
• Boiling Point: 793 °C at 760 mmHg
• Flash Point: 433.4 °C
• PSA: 159.54000
• LogP: 5.05500
• Storage Temp.: 2-8°C
• Solubility.: DMF: soluble
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 501.1778967
• Heavy Atom Count: 35
• Complexity: 789

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-α-CBZ-L-Arginine7-Amido-4-methylcoumarinHydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3.Cl
• Isomeric SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3.Cl
• Uses: N-alpha-CBZ-L-Arginine 7-Amido-4-methylcoumarin Hydrochloride is a suitable fluorogenic substrate for trypsin.

Technology Process of Benzyl (S)-(4-(amidinoamino)-1-(((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)carbonyl)butyl)carbamate monohydrochloride

There total 1 articles about Benzyl (S)-(4-(amidinoamino)-1-(((4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino)carbonyl)butyl)carbamate monohydrochloride 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:

7-amino-4-methylcoumarin. (26093-31-2) + Z-Arg-OH hydrochloride (56672-63-0) → N-α-Benzyloxycarbonyl-L-arginine 4-Methylcoumaryl-7-amide Hydrochloride (70375-22-3)

Guidance literature:

With phosphorus pentaoxide; phosphoric acid; triethylamine; phosphonic acid diethyl ester; Yield given. Multistep reaction; 1.) 110 deg C, 20 min. 2.) 110 deg C, 2h;

DOI:10.1055/s-1980-29136

upstream raw materials:

7-amino-4-methylcoumarin.

Z-Arg-OH hydrochloride

Refernces