CAS 54-42-2|idoxuridine
| Common Name | idoxuridine | ||
|---|---|---|---|
| CAS Number | 54-42-2 | Molecular Weight | 354.099 |
| Density | 2.1±0.1 g/cm3 | Boiling Point | / |
| Molecular Formula | C9H11IN2O5 | Melting Point | 194 °C(lit.) |
| MSDS | USA | Flash Point | / |
| Symbol | GHS07, GHS08 | Signal Word | Warning |
Names
| Name | 5-iodo-2'-deoxyuridine |
|---|---|
| Synonym | More Synonyms |
idoxuridine BiologicalActivity
| Description | Idoxuridine is an antiviral agent for feline herpesvirus type-1 with IC50 of 4.3 μM.Target: herpesvirus type-1Idoxuridine is mainly used topically to treat herpes simplex keratitis. Epithelial lesions, especially initial attacks presenting with a dendritic ulcer, are most responsive to therapy, while infection with stromal involvement are less responsive. Idoxuridine is ineffective against herpes simplex virus type 2 and varicella-zoster. |
|---|---|
| Related Catalog | Signaling Pathways >>Anti-infection >>HSVResearch Areas >>Infection |
| References | [1]. Seth AK, et al. Topical liposomal gel of idoxuridine for the treatment of herpes simplex: pharmaceutical and clinical implications.Pharm Dev Technol. 2004 Aug;9(3):277-89. [2]. Fauth E, et al. Comparison of spontaneous and idoxuridine-induced micronuclei by chromosome painting. Mutat Res. 1999 Apr 6;440(2):147-56. [3]. Otto SE. Radiopharmaceuticals (Strontium 89) and radiosensitizers (idoxuridine). J Intraven Nurs. 1998 Nov-Dec;21(6):335-7. |
Chemical & Physical Properties
| Density | 2.1±0.1 g/cm3 |
|---|---|
| Melting Point | 194 °C(lit.) |
| Molecular Formula | C9H11IN2O5 |
| Molecular Weight | 354.099 |
| Exact Mass | 353.971252 |
| PSA | 104.55000 |
| LogP | -0.52 |
| Index of Refraction | 1.715 |
| InChIKey | XQFRJNBWHJMXHO-RRKCRQDMSA-N |
| SMILES | O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1I |
| Water Solubility | 1.6 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4589 mg/kg/18D-I
- TOXIC EFFECTS :
- Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg/8W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 100 mg/kg
- SEX/DURATION :
- female 7 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 300 mg/kg
- SEX/DURATION :
- female 7 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - Central Nervous System
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 300 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- DOSE :
- 600 mg/kg
- SEX/DURATION :
- female 16-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - stillbirth
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Unreported
- DOSE :
- 300 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Ocular
- DOSE :
- 1350 mg/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Ocular
- DOSE :
- 3250 ug/kg
- SEX/DURATION :
- female 6-18 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- Specific locus test
- TYPE OF TEST :
- Sister chromatid exchange
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Sperm Morphology
MUTATION DATA - TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - rabbit Kidney
- DOSE/DURATION :
- 1 mg/L
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,390,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5053 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 618 (estimated) No. of Female Employees: 318 (estimated)
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Rodent - rabbit Kidney
- DOSE/DURATION :
- 1 mg/L
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 24,390,1981 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5053 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 618 (estimated) No. of Female Employees: 318 (estimated)
Safety Information
| Symbol | GHS07, GHS08 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335-H341-H361 |
| Precautionary Statements | P280-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges |
| Hazard Codes | T:Toxic |
| Risk Phrases | R45;R46;R61 |
| Safety Phrases | S53-S45 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | YU7700000 |
| HS Code | 2934999090 |
Customs
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
Articles54
More Articles| Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). J. Sci. Ind. Res. 65(10) , 808, (2006) Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ... | |
| Developing structure-activity relationships for the prediction of hepatotoxicity. Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ... | |
| A predictive ligand-based Bayesian model for human drug-induced liver injury. Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti... |
Synonyms
| 5-Iodo-2'-desoxyuridine |
| UNII-LGP81V5245 |
| Dendrid (Trade name) |
| 5-Iodo-2'-Deoxyuridine |
| Idoxene |
| Idulea |
| 1-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydro-2-furanyl]-5-iodo-2,4(1H,3H)-pyrimidinedione |
| idoxuridine |
| STOXIL |
| Ophthalmadine |
| HERPLEX |
| Uracil, 5-iodo-1-(2-deoxy-β-D-ribofuranosyl)- |
| EINECS 200-207-8 |
| 1-(2-Deoxy-β-D-erythro-pentofuranosyl)-5-iodpyrimidin-2,4(1H,3H)-dion |
| Kerecid |
| 2′-Deoxy-5-iodouridine |
| 2'-Deoxy-5-iodouridine |
| Virudox |
| Uridine, 2'-deoxy-5-iodo- |
| 5-Iodo-2′-deoxyuridine |
| MFCD00134656 |
| Iduridin |
