Metanephrine - Moligand™, ≥98% , CAS No.5001-33-2

CAS: 5001-33-2 Cat. No.: M611804 Molecular Weight: 197.23 EC Number: 691-307-4 PubChem CID: 21100

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-O-Methylepinephrine | AKOS006230504 | BENZENEMETHANOL, 4-HYDROXY-3-METHOXY-.ALPHA.-((METHYLAMINO)METHYL)- | SPBio_002103 | Vanillyl alcohol, .alpha.-[(methylamino)methyl]- | Benzenemethanol, 4-hydroxy-3-methoxy-alpha-[(methylamino)methyl]- | Prestwick1_

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Metanephrine is the O-methylated metabolite of epinephrine that can be used for the research of diagnosis of pheochromocytoma.

Specifications

Synonyms

3-O-Methylepinephrine | AKOS006230504 | BENZENEMETHANOL, 4-HYDROXY-3-METHOXY-.ALPHA.-((METHYLAMINO)METHYL)- | SPBio_002103 | Vanillyl alcohol, .alpha.-[(methylamino)methyl]- | Benzenemethanol, 4-hydroxy-3-methoxy-alpha-[(methylamino)methyl]- | Prestwick1_

Specifications & Purity

Moligand™, ≥98%

Storage

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™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CNCC(c1ccc(c(c1)OC)O)O
• IUPAC Name: 4-(1-hydroxy-2-methylaminoethyl)-2-methoxyphenol
• InChIKey: JWJCTZKFYGDABJ-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3
• Isomeric SMILES: CNCC(C1=CC(=C(C=C1)O)OC)O
• PubChem CID: 21100
• Molecular Weight: 197.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Ether - Secondary aliphatic amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic alcohol - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• External Descriptors: a guaiacol

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

• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 197.230 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 197.105 Da
• Monoisotopic Mass: 197.105 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 165.000
• 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

References

1. Yuhang Deng, Qingxiang Liu, Zhenni Liu, Haijian Zhao, Weiyan Zhou, Chuanbao Zhang.  (2022)  Commutability Assessment of Processed Human Plasma Samples for Normetanephrine and Metanephrine Measurements Based on the Candidate Reference Measurement Procedure.  Annals of Laboratory Medicine,  42  (5): (575-584).  [PMID:35470275] [10.3343/alm.2022.42.5.575]

2. Qiao-Qiao Qian, Qian-Qian Tan, Dan Sun, Qing Lu, Ying-Ying Xin, Qian Wu, Yong Zhou, Yang-Xi Liu, Pei-Chao Tian, Zhi-Sheng Liu.  (2022)  A Pilot Study on Plasma and Urine Neurotransmitter Levels in Children with Tic Disorders.  Brain Sciences,  12  (7): (880).  [PMID:35884687] [10.3390/brainsci12070880]