GRADE & PURITY ≥98%

Synonyms

Bz-DL-Arg-pNA HCl | PD150662 | DTXSID50883603 | SMR000875358 | 5-carbamimidamido-N-(4-nitrophenyl)-2-(phenylformamido)pentanamide hydrochloride | C19H23ClN6O4 | N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide hydrochlorid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

A pNA-based chromogenic trypsin substrate.

Specifications

Synonyms

Bz-DL-Arg-pNA HCl | PD150662 | DTXSID50883603 | SMR000875358 | 5-carbamimidamido-N-(4-nitrophenyl)-2-(phenylformamido)pentanamide hydrochloride | C19H23ClN6O4 | N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide hydrochlorid

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• 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
• IUPAC Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide;hydrochloride
• InChIKey: DEOKFPFLXFNAON-UHFFFAOYSA-N
• INCHI: 1S/C19H22N6O4.ClH/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29;/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22);1H
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].Cl
• WGK Germany: 3
• PubChem CID: 2724371
• Molecular Weight: 434.88
• Beilstein: 4081878

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides
• Direct Parent: Hippuric acids and derivatives
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Anilides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds N-arylamides Fatty amides Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Hydrochlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Anilide - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-arylamide - Fatty amide - Fatty acyl - Carboxamide group - Guanidine - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboximidamide - Carboxylic acid derivative - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO: 50 mg/mL, clear to hazy, colorless to deep brown-yellow
• Sensitivity: moisture sensitive
• Melt Point(°C): 268-272°C
• Molecular Weight: 434.900 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 434.147 Da
• Monoisotopic Mass: 434.147 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 588.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

References

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2. Jincai Wang, Xiaoling Huang, Jie Mei, Xinwei Chen, Rong Ma, Guowei Li, Zhengjin Jiang, Jialiang Guo.  (2023)  Screening of trypsin inhibitors in Cotinus coggygria Scop. extract using at-line nanofractionation coupled with semi-preparative reverse-phase liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36738572] [10.1016/j.chroma.2023.463817]

3. Zhao Xu-dong, Geng Yi-shu, Hu Tian-yi, Li Wen-xuan, Liang Ying-ying, Hao De-jun.  (2022)  Comparing the Performance of Hyphantria cunea (Lepidoptera: Arctiidae) on Artificial and Natural Diets: Feasibility of Mass-Rearing on Artificial Diets.  JOURNAL OF ECONOMIC ENTOMOLOGY,  116  (1): (181-191).  [PMID:36412250] [10.1093/jee/toac176]

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5. Jianyi Liu, Yan Liu, Dianxin Jin, Minjia Meng, Yinhua Jiang, Liang Ni, Zhanchao Liu.  (2018)  Immobilization of trypsin onto large-pore mesoporous silica and optimization enzyme activity via response surface methodology.  SOLID STATE SCIENCES,      [PMID:] [10.1016/j.solidstatesciences.2018.12.014]

6. Jing Qian, Chunhua Ren, Ting Chen, Jianjun Xia, Zonghe Yu, Yan Gao, Chaoqun Hu.  (2016)  Identification and functional characterization of first alpha-2-macroglobulin in sea cucumbers.  AQUACULTURE RESEARCH,  48  (5): (2278-2290).  [PMID:] [10.1111/are.13064]

7. Rui Yang, Qiao-Cong Lao, Hang-Ping Yu, Yong Zhang, Hong-Cui Liu, Lin Luan, Hui-Min Sun, Chun-Qi Li.  (2014)  Tween-80 and impurity induce anaphylactoid reaction in zebrafish.  JOURNAL OF APPLIED TOXICOLOGY,  35  (3): (295-301).  [PMID:25345596] [10.1002/jat.3069]

8. Longhua Zou, Wei Qi, Renliang Huang, Rongxin Su, Mengfan Wang, Zhimin He.  (2013)  Green Synthesis of a Gold Nanoparticle–Nanocluster Composite Nanostructures Using Trypsin as Linking and Reducing Agents.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/sc400244u]

9. Ya-Qi Zhao, Zhi-Peng Li, Shi-Chao Dong, Hao Wang, Yi-Mei Zhao, Lin-Yi Dong, Zhen-Yu Zhao, Xian-Hua Wang.  (2024)  Preparation of micron-sized benzamidine-modified magnetic agarose beads for trypsin purification from fish viscera.  TALANTA,      [PMID:39180874] [10.1016/j.talanta.2024.126745]

10. Yinghui Zhou, Yunxuan Chen, Chanuka Wijewardana, Chenxuan Jiang, Yuhan Guo, Donghui Zhang, Min Hou, Zhipeng Xu, Lu Chen, MinJun Ji, Lin Chen.  (2026)  Pipiserpin orchestrates mosquito reproduction through dual control of vitellogenin integrity and 20-hydroxyecdysone-directed vitellogenesis.  INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY,      [PMID:41638321] [10.1016/j.ibmb.2026.104514]