81645-08-1

Basic information

• Product Name: Cadeguomycin
• Synonyms: Cadeguomycin;2-Amino-3,4-dihydro-4-oxo-7-β-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid;2-Amino-4,7-dihydro-4-oxo-7-β-D-ribofuranosyl-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
• CAS NO: 81645-08-1
• Molecular Formula: C12H14N4O7
• Molecular Weight: 326.264
• Mol File: 81645-08-1.mol

Chemical Properties

• Melting Point: 231-239 °C
• Boiling Point: 792.7°C at 760 mmHg
• Flash Point: 433.2°C
• Appearance: /
• Density: 2.21g/cm³
• Vapor Pressure: 1.71E-26mmHg at 25°C
• Refractive Index: 1.901
• PKA: 1.73±0.20(Predicted)
• CAS DataBase Reference: Cadeguomycin(CAS DataBase Reference)
• NIST Chemistry Reference: Cadeguomycin(81645-08-1)
• EPA Substance Registry System: Cadeguomycin(81645-08-1)

Safety Data

• Hazardous Substances Data: 81645-08-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H14N4O7/c13-12-14-8-5(9(20)15-12)3(11(21)22)1-16(8)10-7(19)6(18)4(2-17)23-10/h1,4,6-7,10,17-19H,2H2,(H,21,22)(H3,13,14,15,20)/t4-,6-,7-,10-/m1/s1

Upstream product

• 103949-74-2 2-acetylamino-3,4-dihydro-3-methoxymethyl-5-methyl-7-(2,3-O-isopropylidene-5-O-triphenylmethyl-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin-4-one 
• 88970-15-4 2-chloro-7-(β-D-ribofuranosyl)pyrrolo<2,3-d>pyrimidin-4-one-5-carboxamide 
• 87875-07-8 6-bromo-2-diacetylamino-3,4-dihydro-5-hydroxymethyl-3-methoxymethyl-7-(5-O-acetyl-2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin-4-one 
• 87875-08-9 6-bromo-2-diacetylamino-3,4-dihydro-5-formyl-3-methoxymethyl-7-(5-O-acetyl-2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin-4-one 
• 87875-09-0 2-acetylamino-6-bromo-3,4-dihydro-3-methoxymethyl-4-oxo-7-(5-O-acetyl-2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidine-5-carboxylic acid 
• 61210-21-7 2-amino-5-cyano-3,4-dihydro-7-β-D-ribofuranosyl-7H-pyrrolo<2,3-d>pyrimidin-4-one 
• 87875-10-3 2-acetylamino-3,4-dihydro-3-methoxymethyl-4-oxo-7-(5-O-acetyl-2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidine-5-carboxylic acid 
• 88970-14-3 2-amino-7-(β-D-ribofuranosyl)pyrrolo<2,3-d>-pyrimidin-4-one-5-carboxamide 
• 66048-64-4 6-bromo-2-diacetylamino-3,4-dihydro-3-methoxymethyl-5-methyl-7-(5-O-acetyl-2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin-4-one 
• 66242-45-3 2-diacetylamino-3,4-dihydro-3-methoxymethyl-5-methyl-7-(5-O-acetyl-2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin-4-one 
• 66242-44-2 2-acetylamino-3,4-dihydro-3-methoxymethyl-5-methyl-7-(2,3-O-isopropylidene-β-D-ribofuranosyl)-7H-pyrrolo<2,3-d>pyrimidin-4-one 

Relevant articles and documents

PYRROLOPYRIMIDINE NUCLEOSIDES 19. A TOTAL SYNTHESIS OF THE NUCLEOSIDE ANTIBIOTIC CADEGUOMYCIN PYRIMIDIN-4-ONE-5-CARBOXYLIC ACID>

A total synthesis of 2-amino-7-(β-D-ribofuranosyl)pyrrolopyrimidin-4-one-5-carboxylic acid has been accomplished and confirms the previous structural assignment for the nucleoside antibiotic cadeguomycin.