Benserazide hydrochloride - ≥98% , CAS No.14919-77-8

CAS: 14919-77-8 Cat. No.: B101489 Molecular Weight: 293.7 EC Number: 238-991-9

GRADE & PURITY ≥98%

Synonyms

HMS1570L18 | CHEBI:31262 | SB44383 | SCHEMBL364720 | Serine, 2-[(2,3,4-trihydroxyphenyl)methyl]hydrazide, hydrochloride (1:1) | SR-01000003044 | CAS-14919-77-8 | FT-0760799 | 2-amino-3-hydroxy-N'-(2,3,4-trihydroxybenzyl)propanehydrazide hydrochloride | 2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Benserazide is a peripheral decarboxylase inhibitor

Benserazide has been used:

· to inhibit dopa-decarboxylase

· to induce dyskinesia

· to test on purified bacterial TDCs to assess the extent to which it could affect bacterial decarboxylases

· as a peripheral dopa decarboxylase inhibitor to treat mice

Specifications

Synonyms

HMS1570L18 | CHEBI:31262 | SB44383 | SCHEMBL364720 | Serine, 2-[(2, 3, 4-trihydroxyphenyl)methyl]hydrazide, hydrochloride (1:1) | SR-01000003044 | CAS-14919-77-8 | FT-0760799 | 2-amino-3-hydroxy-N'-(2, 3, 4-trihydroxybenzyl)propanehydrazide hydrochloride | 2-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Benserazide can block HK2 enzymatic activity in vitro. It is used along with levodopa to treat Parkinson′s disease.Peripherally acting DOPA decarboxylase inhibitor. Increases the cerebral availability of L-DOPA. Increases GDNF levels in infarction sites.

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%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O.Cl
• IUPAC Name: 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide;hydrochloride
• InChIKey: ULFCBIUXQQYDEI-UHFFFAOYSA-N
• INCHI: 1S/C10H15N3O5.ClH/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16;/h1-2,6,12,14-17H,3-4,11H2,(H,13,18);1H
• Isomeric SMILES: C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O.Cl
• WGK Germany: 2
• RTECS: VT9632300
• Alternate CAS: 322-35-0
• Molecular Weight: 293.7
• Reaxy-Rn: 6494463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6494463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenetriols and derivatives
        • Level5 Pyrogallols and derivatives
          • Level6 5-unsubstituted pyrrogallols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Pyrogallols and derivatives
• Direct Parent: 5-unsubstituted pyrrogallols
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Polyols Hydrazones Primary alcohols Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 5-unsubstituted pyrrogallol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Hydrazone - Polyol - Alcohol - Hydrocarbon derivative - Hydrochloride - Primary amine - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 5-unsubstituted pyrrogallols. These are pyrrogallols that are unsubstituted at th5-position of the benzene ring.
• External Descriptors: hydrochloride

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)

VDR Tclin Vitamin D receptor (26531 Activities)

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ESR2 Tclin Estrogen receptor beta (9272 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALPG Tchem Alkaline phosphatase placental-like (1197 Activities)

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HEK293 (82097 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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P4HB Tchem Protein disulfide-isomerase (716 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

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ALPL Tchem Alkaline phosphatase, tissue-nonspecific isozyme (1551 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PABPC1 Tbio Polyadenylate-binding protein 1 (2615 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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microRNA 21 (64692 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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SAE1 Tbio SUMO-activating enzyme (861 Activities)

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GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

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tat Human immunodeficiency virus type 1 Tat protein (75 Activities)

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Iap Intestinal alkaline phosphatase (419 Activities)

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Plasmodium falciparum (966862 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

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nfo Endonuclease 4 (425 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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pos-1 Cytoplasmic zinc-finger protein (1690 Activities)

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mex-5 Zinc finger protein mex-5 (1676 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, dimethyl sulfoxide and methanol. Insoluble in ethanol and acetone.
• Sensitivity: Light sensitive.Moisture sensitive.
• Melt Point(°C): 180 °C(dec.)
• Molecular Weight: 293.700 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 293.078 Da
• Monoisotopic Mass: 293.078 Da
• Topological Polar Surface Area: 148.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 278.000
• 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

1. Yizhen Guo, Ding Huang, Yan Zhou, Maoxin Ran, Shaolin Zhang, Kin Yip Tam.  (2025)  Targeting Metabolic Vulnerabilities Reveals Hexokinase 2 as a Key Mediator of Resistance to Osimertinib in Non-Small Cell Lung Cancer Models.  ACS Pharmacology & Translational Science,      [PMID:40810158] [10.1021/acsptsci.5c00235]