| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2004 | 17 | Yes |
Popular Name: 5-bromo-2'-deoxyuridine 5-bromo-2'-deoxyuridine
"5-Bromo-2'-deoxyuridine, 99%"
5-bromo-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyridine-2,4(1H,3H)-dione
5-Bromo-1-((2R,4S,5R)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione
5-Bromo-1-(2-deoxy-?-D-ribofuranosyl)uracil
5-Bromo-1-(2-deoxy-beta-D-ribofuranosyl)uracil
5-Bromo-1-(2-deoxy-^b-D-ribofuranosyl)uracil
5-Bromo-2'-Deoxyuridine [59-14-3]; (Br-du)
5-BROMO-2'-DEOXYURIDINE; [59-14-3]
59-14-3; Broxuridine (JAN/INN); D01763
5`-Bromodeoxyuridine;5-Bromo-2`-deoxyuridine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.07 | -3.82 | -14.97 | 3 | 7 | 0 | 105 | 307.1 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.61 | -6.53 | -52.86 | 2 | 7 | -1 | 108 | 306.092 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 191 - 194 | Acros Organics |
| MP | 191-194 °C (dec.)(lit.) | Indofine |
| Purity | 95% | Fluorochem |
| biological_use | Antineoplastic | IBScreen Bioactives IBScreen Bioactives |
| Melting_Point | ca 190? dec. | Alfa-Aesar |
| Melting_Point | ca 190° dec. | Alfa-Aesar |
| UniProt Database Links | DOHH_DROME; HAVR1_RAT | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H341: Suspected of causing genetic defects; H315: Causes skin irritation | Acros Organics |
| mechanism | Incorporate into the DNA | IBScreen Bioactives |
| SOLUBILITY | NH4OH: 0.1 M at 20 °C, clear, colorless | Indofine |
| mechanism | Nucleoside antimetabolite | IBScreen Bioactives IBScreen Bioactives |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R68: Possible risks of irreversible effects. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| biological_use | Virucide | IBScreen Bioactives |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-E | Thymidine Kinase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5060 | 0.44 | Binding ≤ 10μM |
| KTHY-1-B | Thymidylate Kinase (cluster #1 Of 1), Bacterial | Bacteria | 5000 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 5060 | 0.44 | Binding ≤ 10μM |
| KTHY_MYCTU | O05891 | Thymidylate Kinase, Myctu | 5000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine salvage reactions |
