Basic information
- CAS
54799-93-8- Standard SMILES
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)NC(=O)[C@H](CCCN=C(N)N)Nc1ccc([N+](=O)[O-])cc1- InChIKey
IQFRQVCWHMZHOA-KCHLEUMXSA-N- Molecular formula
- C33H40N8O6
- Average molar mass
- 644.7 g/mol
- Monoisotopic mass
- 644.30708103
Overview
synthetic chromogenic substrate for thrombin; liberates p-nitroaniline
Names & identifiers
- Preferred name
- S 2160
- IUPAC
- N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
- English name
- Benzoyl-fvr-PNA
- Molecular formula
- C33H40N8O6
- Molecular weight
- 644.72
Names & synonyms
BzphevalargnanN-Benzoyl-L-phenylalanyl-L-valyl-L-arginine-p-nitroanilideBz-Phe-val-arg-paranitroanilideS-2160N-alpha-benzoyl-L-phenylalanyl-L-valyl-L-arginine-p-nitroanilideL-Argininamide, N-benzoyl-L-phenylalanyl-L-valyl-N-(4-nitrophenyl)-RefChem:18043254799-93-8S 2160N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamideDTXSID30970141Nalpha-Benzoyl-L-phenylalanyl-L-valyl-L-arginine-p-nitroanilide
Show more names
BZ-FVR-PNABenzoyl-fvr-PNABz-Phe-Val-Arg-pNABENZOYL-FVR-PNA USP/EP/BPN-Benzoyl-Phe-Val-Arg-p-nitroanilideBz-Phe-Val-Arg-pNA . HCl (L-1150.0050)N-BENZOYL-L-PHENYLALANYL-L-VALYL-L-ARGI&
N-[(2S)-1-{[(2S)-1-{[(2S)-5-(Carbamimidoylamino)-1-hydroxy-2-(4-nitroanilino)pentylidene]amino}-3-methyl-1-oxobutan-2-yl]imino}-1-hydroxy-3-phenylpropan-2-yl]benzenecarboximidic acidN-{1-[(1-{[5-Carbamimidamido-1-hydroxy-2-(4-nitroanilino)pentylidene]amino}-3-methyl-1-oxobutan-2-yl)imino]-1-hydroxy-3-phenylpropan-2-yl}benzenecarboximidic acid
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 227 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Density
- 1.324 · 1.324±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 10 mg/mL, · methanol: 10 mg/mL, clear, light yellow
- pka
- 13.26 · 13.260±0.46(predicted)
- form
- powder
- BRN
- 3027332 · 3027332
- InChIKey
- PYVSMZDQQUZGPF-JAQKLANPSA-N
- SMILES
- Cl.CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc3ccc(cc3)[N+]([O-])=O
- UNSPSC Code
- 12352204 · 12352204
- NACRES
- 32 · NA.32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P304+P340-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2925290090
- risk_code
- 20/21/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36-24/25-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN-Benzoyl-Phe-Val-Arg-p-nitroanilide hydrochloride has been used: as a substrate: for trypsin-like enzyme in the soluble and particulate fractions of the hyphaefor the thrombin, recombinant and native batroxobin from snake venomfor fibrinolytic enzyme aprE2 in amidolytic activity assay
General DescriptionN-Benzoyl-Phe-Val-Arg-p-nitroanilide is a chromogenic protease substrate.
Suppliers32 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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