BAPNA - ≥98% , CAS No.911-77-3

CAS: 911-77-3 Cat. No.: B100879 Peso molecular: 434.88 Beilstein Registry Number: 4081878 Número EC: 213-011-2 PubChem CID: 2724371

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

Descripción general

A pNA-based chromogenic trypsin substrate.

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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 Alemania: 3
• PubChem CID: 2724371
• Peso molecular: 434.88
• Beilstein: 4081878

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO: 50 mg/mL, clear to hazy, colorless to deep brown-yellow
• Sensibilidad: moisture sensitive
• Punto de fusión (°C): 268-272°C
• Peso molecular: 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

Referencias

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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]

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4. Davide Di Paola, Sabrina Natale, Enrico Gugliandolo, Marika Cordaro, Rosalia Crupi, Rosalba Siracusa, Ramona D’Amico, Roberta Fusco, Daniela Impellizzeri, Salvatore Cuzzocrea, Nunziacarla Spanò, Fabio Marino, Alessio Filippo Peritore.  (2022)  Assessment of 2-Pentadecyl-2-oxazoline Role on Lipopolysaccharide-Induced Inflammation on Early Stage Development of Zebrafish (Danio rerio).  Life-Basel,  12  (1): (128).  [PMID:35054521] [10.3390/life12010128]

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]

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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]