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

CAS: 14919-77-8 Cat. No.: B101489 分子式: C₁₀H₁₅N₃O₅.HCl 分子量: 293.7 EC番号: 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

概要

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

同義語

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-

仕様と純度

≥98%

生化学的・生理学的メカニズム

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.

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

注

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.

純度

≥98%

名前と識別子

パブケム・シド

508815083

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508815083

カノニカル・スマイル

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

異性体SMILES

C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O.Cl

WGKドイツ

2

RTECS

VT9632300

代替CAS番号

322-35-0

分子量

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
    • 分類 Phenols
      • Subclass Benzenetriols and derivatives
        • Level5 Pyrogallols and derivatives
          • Level6 5-unsubstituted pyrrogallols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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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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P4HB Tchem Protein disulfide-isomerase (716 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 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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microRNA 21 (64692 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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water, dimethyl sulfoxide and methanol. Insoluble in ethanol and acetone.
• 感度: Light sensitive.Moisture sensitive.
• 融点（°C）: 180 °C(dec.)
• 分子量: 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