1-Amidino-3-beta-D-ribofuranosylurea

Base Information

• Chemical Name: 1-Amidino-3-beta-D-ribofuranosylurea
• CAS No.: 2508-80-7
• Molecular Formula: C₇H₁₄N₄O₅
• Molecular Weight: 234.212
• UNII: TLG977GAY5
• Nikkaji Number: J2.544.052H
• ChEMBL ID: CHEMBL3278059
• Mol file: 2508-80-7.mol

Synonyms:2508-80-7;1-Amidino-3-beta-D-ribofuranosylurea;TLG977GAY5;Urea, N-(aminoiminomethyl)-N'-beta-D-ribofuranosyl-;1-beta-d-ribofuranosyl-3-guanylurea;NSC 264412;Urea, 1-amidino-3-beta-D-ribofuranosyl-;1-(Diaminomethylene)-3-(beta-D-ribofuranosyl)urea;C7H14N4O5;C7-H14-N4-O5;NSC-264412;UNII-TLG977GAY5;SCHEMBL1211367;CHEMBL3278059;AC5729;AKOS037630760;1-Amidino-3-(beta-D-ribofuranosyl)urea;1-.BETA.-D-RIBOFURANOSYL-3-GUANYLUREA;UREA, N-(AMINOIMINOMETHYL)-N'-.BETA.-D-RIBOFURANOSYL-;3-carbamimidoyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea

Chemical Property of 1-Amidino-3-beta-D-ribofuranosylurea

Chemical Property:

• PKA: 12.95±0.70(Predicted)
• PSA: 163.42000
• Density: 2.02g/cm³
• LogP: -1.80010
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Water (Slightly)
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 234.09641956
• Heavy Atom Count: 16
• Complexity: 293

Purity/Quality:

97% ^*data from raw suppliers

(β)-1-D-Ribofuranosyl-3-guanylurea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C1C(C(C(O1)NC(=O)N=C(N)N)O)O)O
• Isomeric SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)N=C(N)N)O)O)O
• Uses: (α)-1-D-Ribofuranosyl-3-guanylurea is a labile hydrolysis product of the antitumor nuceloside 5-Azacytidine (A796000).

Technology Process of 1-Amidino-3-beta-D-ribofuranosylurea

There total 2 articles about 1-Amidino-3-beta-D-ribofuranosylurea 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:

N-(Formylamidino)-N'-β-D-ribofuranosylharnstoff (65126-88-7) → 1-β-D-Ribofuranosyl-3-guanylharnstoff (2508-80-7)

Guidance literature:

at 37 ℃; Rate constant; pH 9.5; other temperature, pH; decomposition of 5-aza-2'-deoxycytidine and 5-azacytidine on alkali and neutral solutions, HPLC study;

DOI:10.1002/jps.2600701112

Reference yield:

→ 1-β-D-Ribofuranosyl-3-guanylharnstoff (2508-80-7)

Guidance literature:

aus entspr. 1,3,5-Triazin-2(1H)-on, 1. Hydrolyse -> Verb. 2, 2. -> Verb. 3;

DOI:10.1021/jm00200a012

upstream raw materials:

N-(Formylamidino)-N'-β-D-ribofuranosylharnstoff

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