DL-Carbidopa (Carbidopa) - Moligand™,≥97% , CAS No.302-53-4

CAS: 302-53-4 Cat. No.: D275777 Molecular Weight: 226.23

GRADE & PURITY Moligand™, ≥97%

Synonyms

Benzenepropanoic acid, alpha-hydrazino-3,4-dihydroxy-alpha-methyl- | S-(-)-Carbidopa, >=98% (TLC), powder | Spectrum_001314 | KBio3_002693 | 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid | DTXSID80860427 | NCGC00015185-02 | AKOS005721170 | F

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Benzenepropanoic acid, alpha-hydrazino-3, 4-dihydroxy-alpha-methyl- | S-(-)-Carbidopa, >=98% (TLC), powder | Spectrum_001314 | KBio3_002693 | 3-(3, 4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid | DTXSID80860427 | NCGC00015185-02 | AKOS005721170 | F

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

Noncompetitive aromatic amino acid decarboxylase inhibitor. Inhibits peripheral L-DOPA metabolism to dopamine and inhibits decarboxylation of L-5-Hydroxytryptophan to serotonin in vivo . Orally active.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

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

≥97%

Names and Identifiers

• Canonical Smiles: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN
• IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
• InChIKey: TZFNLOMSOLWIDK-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)
• Isomeric SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)NN
• Molecular Weight: 226.23
• Reaxy-Rn: 657532
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=657532&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Amphetamines and derivatives Alpha amino acids and derivatives Phenylpropanes Catechols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Alkylhydrazines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenylpropane - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Alkylhydrazine - Monocarboxylic acid or derivatives - Organopnictogen compound - Hydrazine derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: a small molecule

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 10 mM
• Sensitivity: light & Moisture & air sensitive
• Molecular Weight: 226.230 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 226.095 Da
• Monoisotopic Mass: 226.095 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 261.000
• 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: 1