4-Aminobenzohydrazide - ≥98%(HPLC) , CAS No.5351-17-7

CAS: 5351-17-7 Cat. No.: A151536 Molecular Weight: 151.17 Beilstein Registry Number: 14(3)1081 EC Number: 226-324-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

p-Aminobenzoyl hydrazide | HY-B0880 | STK075152 | Z57199627 | BB 0259293 | AS-57471 | EN300-18128 | para-Aminobenzhydrazide | SCHEMBL328628 | 4-Aminobenzoic hydrazide | BRN 0639053 | SY036768 | p-Aminobenzoic hydrazide | 4NPhCON2 | AKOS000119698 | A1211 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

p-Aminobenzoyl hydrazide | HY-B0880 | STK075152 | Z57199627 | BB 0259293 | AS-57471 | EN300-18128 | para-Aminobenzhydrazide | SCHEMBL328628 | 4-Aminobenzoic hydrazide | BRN 0639053 | SY036768 | p-Aminobenzoic hydrazide | 4NPhCON2 | AKOS000119698 | A1211 |

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent, irreversible and specific MPO inhibitor (IC 50 = 300 nM). Benzoic acid analog. No inhibition of catalase or glutathione peroxidase activity. Inhibits apoptosis in vitro .

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488182697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182697
• Canonical Smiles: C1=CC(=CC=C1C(=O)NN)N
• IUPAC Name: 4-aminobenzohydrazide
• InChIKey: WPBZMCGPFHZRHJ-UHFFFAOYSA-N
• INCHI: 1S/C7H9N3O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,8-9H2,(H,10,11)
• Isomeric SMILES: C1=CC(=CC=C1C(=O)NN)N
• WGK Germany: 3
• RTECS: DG2580000
• Molecular Weight: 151.17
• Beilstein: 14(3)1081
• Reaxy-Rn: 639053
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=639053&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Aniline and substituted anilines Carboxylic acid hydrazides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Carboxylic acid hydrazide - Carboxylic acid derivative - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzoic acids and derivatives. These are benzoic acids (or derivative thereof) containing an amine group attached to the benzene moiety.
• 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)

MPO Tchem Myeloperoxidase (2 Activities)

Discover Target: MPO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MPO Tchem Myeloperoxidase (1002 Activities)

Discover Target: MPO

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

Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO (10 mg/ml), dilute acids, and water (partly miscible).
• Sensitivity: air sensitive
• Melt Point(°C): 228 °C
• Molecular Weight: 151.170 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.075 Da
• Monoisotopic Mass: 151.075 Da
• Topological Polar Surface Area: 81.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yan Zhao, Xinquan Yu, Xiao Liu, Dailiang Zhang, He Li, Hanlin Zhou, Weiheng Kong, Fengli Qu.  (2023)  ClO– Induced Dual-Excitation Fluorescent Probes Responding to Diverse Testing Modes with Ratio Methodology.  ANALYTICAL CHEMISTRY,      [PMID:37114482] [10.1021/acs.analchem.2c05532]

2. Zhilan Pan, Yuli Wei, Hao Guo, Bingqing Liu, Lei Sun, Zongyan Lu, Xiaoqin Wei, Hao Zhang, Yuan Chen, Wu Yang.  (2022)  Sensitive detection of sulfamethoxazole by an electrochemical sensing platform with a covalent organic framework in situ grown on polyaniline.  MICROPOROUS AND MESOPOROUS MATERIALS,      [PMID:] [10.1016/j.micromeso.2022.112409]

3. Haimei Yang, Qianghong Zhao, Xian Wang, Yu Wu, Yuchen Su, Weili Wei.  (2021)  Facile and highly selective sensing of hypochlorous acid in aqueous solution and living cells by using as-prepared WSe2 quantum dots.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2021.129782]