N1-Methylpseudouridine - ≥98% , CAS No.13860-38-3

CAS: 13860-38-3 Cat. No.: N276158 Molecular Weight: 258.229 EC Number: 974-126-8

GRADE & PURITY ≥98%

Synonyms

(R)-2-[[2-(4-aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride | NSC 240023 | 1-Methylpseudouridine | 1-methyl-pseudouridine | CHEBI:19068 | m1psi | 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione |

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

(R)-2-[[2-(4-aminophenyl)ethyl]amino]-1-phenylethanol monohydrochloride | NSC 240023 | 1-Methylpseudouridine | 1-methyl-pseudouridine | CHEBI:19068 | m1psi | 5-[(2S, 3R, 4S, 5R)-5-(hydroxymethyl)-3, 4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2, 4-dione |

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Methylpseudouridine in which the methyl group is located at position N-1 on the uracil ring.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

• Pubchem Sid: 504756442
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756442
• Canonical Smiles: CN1C=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
• IUPAC Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpyrimidine-2,4-dione
• InChIKey: UVBYMVOUBXYSFV-XUTVFYLZSA-N
• INCHI: 1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1
• Isomeric SMILES: CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
• Molecular Weight: 258.229
• Reaxy-Rn: 1084464
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1084464&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Class Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Class: Nucleoside and nucleotide analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Nucleoside and nucleotide analogues
• Alternative Parents: C-glycosyl compounds Pentoses Pyrimidones Hydroxypyrimidines Hydropyrimidines Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: C-glycosyl compound - Glycosyl compound - Pentose monosaccharide - Pyrimidone - Hydroxypyrimidine - Hydropyrimidine - Monosaccharide - Pyrimidine - Tetrahydrofuran - Heteroaromatic compound - Secondary alcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Primary alcohol - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nucleoside and nucleotide analogues. These are analogues of nucleosides and nucleotides. These include phosphonated nucleosides, C-glycosylated nucleoside bases, analogues where the sugar unit is a pyranose, and carbocyclic nucleosides, among others.
• External Descriptors: methylpseudouridine

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

Chemical and Physical Properties

• Solubility: Soluble in water to 100 mM
• Molecular Weight: 258.230 g/mol
• XLogP3: -2.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 258.085 Da
• Monoisotopic Mass: 258.085 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 409.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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

References

1. Zhuo Li, Zixin Huo, Shanshan Yao, Xianmeng Liang, Yiran Zhao, Yanxin Wang, Shifeng Guo, Caihuan Ke, Pei Su, Danqing Feng.  (2025)  Intertidal Warfare: Synergistic Allelopathy Mediates Spatial Competition between Two Marine Calcareous-Shelled Sessile Organisms.  Advanced Science,      [PMID:41355076] [10.1002/advs.202512644]