(S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride

Base Information

• Chemical Name: (S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride
• CAS No.: 21653-40-7
• Molecular Formula: C₁₉H₂₂N₆O₄*ClH
• Molecular Weight: 434.882
• Hs Code.: 29252900
• European Community (EC) Number: 244-505-6
• DSSTox Substance ID: DTXSID60176038
• Mol file: 21653-40-7.mol

Synonyms:21653-40-7;Bz-Arg-PNA.HCl;(S)-N-(5-Guanidino-1-((4-nitrophenyl)amino)-1-oxopentan-2-yl)benzamide hydrochloride;(S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride;N-ALPHA-BENZOYL-L-ARGININE P-NITROANILIDE HYDROCHLORIDE;Nalpha-Benzoyl-L-arginine 4-nitroanilide hydrochloride;EINECS 244-505-6;MFCD00063682;N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride;N|A-Benzoyl-L-arginine 4-nitroanilide (hydrochloride);Bz-Arg-pNA HCl;N-[(1S)-4-Guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]benzamide hydrochloride;Bz-Arg-Pna-HCl;BANI;L-BAPA;SCHEMBL593062;DTXSID60176038;DEOKFPFLXFNAON-NTISSMGPSA-N;L-BApNA HCl;L-BAPA HCl;AKOS015889884;FD10548;(S)-N-(5-GUANIDINO-1-((4-NITROPHENYL)AMINO)-1-OXOPENTAN-2-YL)BENZAMIDE HCL;AS-56535;PD164148;HY-137529;CS-0139762;NS00084587;n-benzoyl-l-arginine p-nitroanilide hydrochloride;A815583;J-014211;N alpha -Benzoyl-L-arginine 4-nitroanilide hydrochloride;Nalpha-Benzoyl-L-arginine 4-nitroanilide hydrochloride, >98% (TLC);(S)-N-(5-guanidino-1-(4-nitrophenylamino)-1-oxopentan-2-yl)benzamide hydrochloride;Benzamide,N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-,monohydrochloride(9ci);N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide hydrochloride;N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]benzamide hydrochloride;Nalpha-Benzoyl-L-arginine 4-nitroanilide hydrochloride, >=99% (TLC), suitable for substrate for trypsin

Chemical Property of (S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride

Chemical Property:

• Appearance/Colour: White to pale yellow crystalline powder
• Vapor Pressure: 3.65E-23mmHg at 25°C
• Melting Point: 223-226 °C
• Boiling Point: 755.4 °C at 760 mmHg
• Flash Point: 410.7 °C
• PSA: 165.92000
• Density: g/cm³
• LogP: 4.57520
• Storage Temp.: −20°C
• Solubility.: Soluble in DMSO at 50mg/ml
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 434.1469309
• Heavy Atom Count: 30
• Complexity: 588

Purity/Quality:

99% ^*data from raw suppliers

N-alpha-Benzoyl-L-arginine 4-nitroanilide hydrochloride ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
• Uses: Chromogenic substrate for trypsin, papain & other proteolytic enzymes. N-alpha-Benzoyl-L-arginine p-nitroanilide hydrochloride is used as a chromogenic substrate for trypsin and other proteolytic enzymes. Nα-Benzoyl-L-arginine 4-nitroanilide hydrochloride has been used as a substrate:for chymotrypsin and trypsin activity assay in enzymatic extract (EE) of M. tenellum and pancreatic tissue homogenatesin trypsin and papain standard curve generationin serine protease and fibrinogenolytic assays of eupolytin1 protein

Technology Process of (S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride

There total 1 articles about (S)-5-(Amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide 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:

→ alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride (911-77-3,21653-40-7)

Guidance literature:

N^α-Benzoyl-N^ω-nitro-DL-arginin-p-nitroanilid;

DOI:10.1246/bcsj.43.2900

Reference yield:

alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride (911-77-3,21653-40-7) → 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

With trypsin from bovine pancreas; In aq. buffer; at 37 ℃; for 0.166667h; pH=8.2; Concentration; Kinetics; Enzymatic reaction;

DOI:10.1016/j.molliq.2020.114359

Downstream raw materials:

4-nitro-aniline