N-alpha-Benzoyl-4'-nitro-DL-argininanilide hydrochloride
Basic information
- CAS
911-77-3- Standard SMILES
Cl.NC(N)=NCCCC(NC(=O)c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
DEPWARHMJHIFAY-UHFFFAOYSA-N- Molecular formula
- C19H23ClN6O4
- Average molar mass
- 434.9 g/mol
- Monoisotopic mass
- 434.1469309
Names & identifiers
- Preferred name
- N-alpha-Benzoyl-4'-nitro-DL-argininanilide hydrochloride
- IUPAC
- N-[1-benzamido-4-(diaminomethylideneamino)butyl]-4-nitrobenzamide;hydrochloride
- English name
- N-Benzoyl-DL-arginine-4-nitroanilide hydrochloride
- Molecular formula
- C19H23ClN6O4
- Molecular weight
- 434.88
Names & synonyms
N-alpha-Benzoyl-4'-nitro-DL-argininanilide hydrochlorideNSC 83264n-{1-(benzoylamino)-4-[(diaminomethylidene)amino]butyl}-4-nitrobenzamide hydrochloride(1:1)EINECS 213-011-2N-[1-benzamido-4-(diaminomethylideneamino)butyl]-4-nitrobenzamide;hydrochlorideBAPNABAPADL-BAPNABANIPRV1HNA2APRV-1
Show more names
HNA-2aUNQ595DL-BAPA
Database identifiers
- CAS
911-77-3- PubChem CID
- 101902
Properties
Computed structural properties
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 588
Physicochemical properties
- Melting point
- 275 °C · ~275 °C (dec.)
- storage temp.
- -20 °C · -20°C
- solubility
- 1 mg/ml; · DMF: 1 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:8): 0.11 mg/ml
- form
- Powder
- color
- White to off-white
- BRN
- 4081878 · 4081878
- InChIKey
- DEOKFPFLXFNAON-UHFFFAOYSA-N
- SMILES
- N(C1C=CC(N(=O)=O)=CC=1)C(=O)C(CCCNC(N)=N)NC(C1C=CC=CC=1)=O.Cl
- CAS DataBase Reference
- 911 · 911-77-3(CAS DataBase Reference)
- EPA Substance Registry System
- 4 · Benzamide, N-[4-[(aminoiminomethyl)amino]-1-[[(4-nitrophenyl)amino]carbonyl]butyl]-, monohydrochloride (911-77-3)
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 3-8-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29252900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesSubstrate for trypsin, papain, ficin, bromelain, plasmin, and cathepsin B.
UsesNα-Benzoyl-DL-arginine 4-nitroanilide hydrochloride has been used as a substrate for trypsin and elastase in enzyme analysis.
General DescriptionNα-Benzoyl-DL-arginine 4-nitroanilide hydrochloride (DL-BAPNA) is a chromogenic substrate for proteolytic enzymes such as trypsin, amidase, and balterobin. Hydrolysis of DL-BAPNA at the bond between the arginine and the p-nitroaniline moieties releases the chromophore p-nitroaniline, which can be detected by colorimetric analysis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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