Basic information
- CAS
11033-22-0- Standard SMILES
OCC1OC(n2cnc3c2NC=NCC3O)C(O)C1O- InChIKey
YOOVTUPUBVHMPG-UHFFFAOYSA-N- Molecular formula
- C11H16N4O5
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.11206962
Names & identifiers
- Preferred name
- 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- English name
- coformycin
- Molecular formula
- C11H16N4O5
- Molecular weight
- 284.27
Names & synonyms
3-pentofuranosyl-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol2-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolNSC 277817NSC277817SCHEMBL14031897DTXSID50911591NCI60_002261coformycin5-d)(1,3)diazepin-8-ol,3,4,7,8-tetrahydro-3-beta-d-ribofuranosyl-imidazo(((8R)-3-β-D-Ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol(8R)-3,4,7,8-Tetrahydro-3-β-D-ribofuranosylimidazo[4,5-d][1,3]diazepin-8-ol(r)-3,4,7,8-tetrahydro-3-beta-d-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-o
Show more names
Imidazo[4,5-d][1,3]diazepin-8-ol, 3,4,7,8-tetrahydro-3-β-D-ribofuranosyl-, (8R)-
Database identifiers
- CAS
11033-22-0- PubChem CID
- 320
- DTXSID
DTXSID50911591
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Physicochemical properties
- Melting point
- 182 · 182-184 °C
- Boiling point
- 692.67 · 692.670±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.964 · 1.964±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.826 · 12.826±0.20(predicted)
- FDA UNII
- 49510 ZL0H · E49510ZL0H
Chemistry & industry
Applications
DescriptionCoformycin is isolated from Nocardia interforma along with formycin. Coformycin shows a synergistic effect with formycin on Yoshida rat sarcoma cells because of its strong inhibition of adenosine deaminase, which inactivates formycin. Coformycin, having a characteristic seven-membered ring base moiety, is thought to be a typical example of a “transition-state analog” in the adenosine deaminase reaction. 2_x0002_-Deoxycoformycin (19b) has also been isolated also .
Suppliers5 total
成都诺维生物科技有限公司028-81458053 · [email protected] [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: An N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N3-glycosidic bond. compound The parent of the class of coformycins.
Related reactions
0 records
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Compound notes
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