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

CAS: 13860-38-3 Cat. No.: N276158 분자식: C₁₀H₁₄N₂O₆ 분자량: 258.229 EC 번호: 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

동의어

(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 |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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참고

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.

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504756442
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756442
• 정식 스마일: 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
• 이성체 SMILES: CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
• 분자량: 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
    • 분류 Nucleoside and nucleotide analogues

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water to 100 mM
• 분자량: 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