Uracil-13C,15N2

Base Information

• Chemical Name: Uracil-13C,15N2
• CAS No.: 181517-11-3
• Molecular Formula: C3¹³CH4¹⁵N2O2
• Molecular Weight: 115.064
• DSSTox Substance ID: DTXSID50584446
• Wikidata: Q82476111
• Mol file: 181517-11-3.mol

Synonyms:Uracil-13C,15N2;181517-11-3;Uracil-2-13C,15N2;Uracil-13C2,15N2;(213C,1,3-15N2)1H-pyrimidine-2,4-dione;2,4(1H,3H)-Pyrimidinedione-13C,15N2;HY-I0960S;DTXSID50584446;2,4(1H,3H)-PYRIMIDINEDIONE-2-13C-1,3-15N2(9CI);AKOS030241634;CS-0226202;J-011591;(2-~13~C,~15~N_2_)Pyrimidine-2,4(1H,3H)-dione;Uracil-2-13C,15N2, 98 atom % 15N, 99 atom % 13C

Chemical Property of Uracil-13C,15N2

Chemical Property:

• Melting Point: >300 °C(lit.)
• PSA: 65.72000
• Density: 1.321 g/cm³
• LogP: -0.93680
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.02470200
• Heavy Atom Count: 8
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

Uracil-13C,15N2 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=O)NC1=O
• Isomeric SMILES: C1=C[15NH][13C](=O)[15NH]C1=O
• Uses: Uracil-13C,15N2 is an isotopically labelled compound that can be synthesized to study cellular DNA damage using mass spectrometry. This compound can also be used to study the unimolecular reactivity of various uracil complexes and systems.

Technology Process of Uracil-13C,15N2

There total 1 articles about Uracil-13C,15N2 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

<13C15N2>urea (58069-83-3,78405-35-3) + Propiolic acid (471-25-0) → uracil-<1,3-15N2-2-13C> (181517-11-3)

Guidance literature:

With PPA; at 85 ℃; for 4h;

DOI:10.1021/j100026a006

Reference yield: 64.2%

uracil-<1,3-15N2-2-13C> (181517-11-3) + 5-Methyluridine (1463-10-1,642082-80-2) → [1,3-15N2, 2-13C]-uridine (369656-75-7)

Guidance literature:

With Escherichia coli thymidine phosphorylase; In aq. phosphate buffer; at 40 ℃; pH=6.8; Kinetics; Enzymatic reaction;

DOI:10.1016/j.bmc.2015.09.011

Reference yield:

[13C]-formaldehyde (3228-27-1,89277-65-6) + uracil-<1,3-15N2-2-13C> (181517-11-3) → [1,3-(15)N2,2,5-methyl-(13)C2]5-(hydroxymethyl)uracil

Guidance literature:

DOI:10.1021/tx980194k

upstream raw materials:

<¹³C¹⁵N2>urea

Propiolic acid

Downstream raw materials:

[1,3-15N2, 2-13C]-uridine

Refernces

• 1、 -. "Synthetic method of double-labeled uridine-(C,N2)". Paragraph 0012; 0023-0024; 0028-0029; 0033-0034; 0038-0039. . Retrieved 2017/08/27.