p-Nitrophenyl β-D-Mannopyranoside - Moligand™, ≥97% , Agonist of TAS2R16, CAS No.35599-02-1, Agonist of TAS2R16

CAS: 35599-02-1 Cat. No.: P134941 Molecular Weight: 301.25 Beilstein Registry Number: 1436646 EC Number: 252-633-9

GRADE & PURITY Moligand™, ≥97%

Synonyms

GTPL12453 | 4-Nitrophenyl beta -D-mannopyranoside | 4-Nitrophenyl beta-D-mannopyranoside | AKOS015897098 | (4-nitrophenyl) D-manno-hexopyranoside | DTXSID001298822 | p-nitrophenyl-beta-d-mannoside | MBE | 4-Nitrophenyl-beta-D-mannopyranoside | 4-nitrophen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

GTPL12453 | 4-Nitrophenyl beta -D-mannopyranoside | 4-Nitrophenyl beta-D-mannopyranoside | AKOS015897098 | (4-nitrophenyl) D-manno-hexopyranoside | DTXSID001298822 | p-nitrophenyl-beta-d-mannoside | MBE | 4-Nitrophenyl-beta-D-mannopyranoside | 4-nitrophen

Specifications & Purity

Moligand™, ≥97%

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™

Action Type

AGONIST

Mechanism of action

Agonist of TAS2R16

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488188339
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188339
• Canonical Smiles: C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol
• InChIKey: IFBHRQDFSNCLOZ-LDMBFOFVSA-N
• INCHI: 1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11+,12-/m1/s1
• Isomeric SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• Alternate CAS: 35599-02-1
• MeSH Entry Terms: 4-nitrophenyl-beta-D-mannopyranoside;p-nitrophenyl-beta-D-mannoside;para-nitrophenyl-beta-D-mannopyranoside;PNPBM
• Molecular Weight: 301.25
• Beilstein: 1436646
• Reaxy-Rn: 17521940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17521940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Hexoses O-glycosyl compounds Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Oxanes Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Organic oxoazanium compounds Acetals Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Organic nitro compound - Secondary alcohol - C-nitro compound - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Polyol - Organic oxoazanium - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• 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)

TAS2R16 Tchem Taste receptor type 2 member 16 (0 Activities)

Discover Target: TAS2R16

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 301.250 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 301.08 Da
• Monoisotopic Mass: 301.08 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 354.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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