| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 17 | Yes |
Popular Name: Idoxuridine Idoxuridine
(+)-5-Iodo-2'-deoxyuridine, 98%
(+)-5-Iodo-2'-deoxyuridine, 99%
1-(2-Deoxy-beta-D-ribofuranosyl)-5-iodouracil
1-(2-Deoxy-_-D-ribofuranosyl)-5-iodouracil
1-(2-deoxypentofuranosyl)-4-hydroxy-5-iodopyrimidin-2(1H)-one
1-(2-deoxypentofuranosyl)-5-iodopyrimidine-2,4(1h,3h)-dione
1-(4-Hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-iodo-1H-pyrimidine-2,4-dione
1-beta-D-2'-Deoxyribofuranosyl-5-iodouracil
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[(2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-1,2,3,4-tetrahydropyrimidine-2,4-dione
1.beta.-D-2'-Deoxyribofuranosyl-5-iodouracil
1beta-D-2'-Deoxyribofuranosyl-5-iodouracil
2'-deoxy-5-iodo-Uridine 54-42-2 97% in stock USD quotation quotation quotation
4-24-00-01235 (Beilstein Handbook Reference)
54-42-2; D00342; Dendrid (TN); Herplex (TN); Idoxuridine (JP16/USP/INN)
54-42-2; Idoxuridine; Prestwick_523
5IUDR; Allergan 211; IDU; SK&F-14287
5IUDR; Allergan 211; SK&F-14287
Idoxuridine [USAN:INN:BAN:JAN]
Idoxuridinum; idoxuridina; idoxuridine
Uracil, 5-iodo-1-(2-deoxy-.beta.-D-ribofuranosyl)-
Uracil, 5-iodo-1-(2-deoxy-beta-D-ribofuranosyl)-
Uridine, 2'-deoxy-5-(iodo-125I)-
| 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) | -0.80 | -3.35 | -14.11 | 3 | 7 | 0 | 105 | 354.1 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.34 | -6.06 | -51.55 | 2 | 7 | -1 | 108 | 353.092 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 155 - 180 | Acros Organics |
| ALOGPS_SOLUBILITY | 2.34e+01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Target | Antifection | Selleck Chemicals |
| Therapy | antiviral | SMDC Pharmakon |
| Melting_Point | ca 190? dec. | Alfa-Aesar |
| Melting_Point | ca 190° dec. | Alfa-Aesar |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H341: Suspected of causing genetic defects; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H361d: Suspected of damaging the unborn child | Acros Organics |
| Target | Others | Selleck Chemicals |
| 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.; R63: Possible risk of harm to the unborn child.; 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 |
| Hazard | XN: Harmful | Acros Organics |
| Purity | ¡Ý 96.0 % | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KITH-1-E | Thymidine Kinase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 90 | 0.58 | Binding ≤ 10μM |
| A3RLP8-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 1500 | 0.48 | Binding ≤ 10μM |
| Z50602-1-O | Human Herpesvirus 1 (cluster #1 Of 2), Other | Other | 400 | 0.53 | Binding ≤ 10μM |
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 3980 | 0.44 | Functional ≤ 10μM |
| Z50599-1-O | Cowpox Virus (cluster #1 Of 1), Other | Other | 400 | 0.53 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 7100 | 0.42 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 2800 | 0.46 | Functional ≤ 10μM |
| Z80208-1-O | L5178Y (Lymphoma Cells) (cluster #1 Of 2), Other | Other | 5400 | 0.43 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 400 | 0.53 | Binding ≤ 1μM |
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 100 | 0.58 | Binding ≤ 1μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 400 | 0.53 | Binding ≤ 10μM |
| A3RLP8_CHV1 | A3RLP8 | Thymidine Kinase, Chv1 | 1500 | 0.48 | Binding ≤ 10μM |
| KITH_HUMAN | P04183 | Thymidine Kinase, Cytosolic, Human | 100 | 0.58 | Binding ≤ 10μM |
| Z50599 | Z50599 | Cowpox Virus | 1100 | 0.49 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 1840 | 0.47 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 2400 | 0.46 | Functional ≤ 10μM |
| Z80208 | Z80208 | L5178Y (Lymphoma Cells) | 2400 | 0.46 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 1000 | 0.49 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Pyrimidine salvage reactions |
