Mizoribine
Grundinformationen
- CAS
50924-49-7- Standard-SMILES
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O- InChIKey
HZQDCMWJEBCWBR-UUOKFMHZSA-N- Summenformel
- C9H13N3O6
- Durchschnittliche Molmasse
- 259,22 g/mol
- Monoisotopische Masse
- 259,08043514
Überblick
Mizoribine is a member of imidazoles. It has a role as an anticoronaviral agent.
Namen und Bezeichner
- Bevorzugter Name
- Mizoribine
- IUPAC
- 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
- Englischer Name
- Mizoribine
- Summenformel
- C9H13N3O6
- Molmasse
- 259.22
Namen und Synonyme
mizoribine50924-49-7MizoribinaMizoribinum5-Hydroxy-1-beta-D-ribofuranosyl-1H-imidazole-4-carboxamide5-Hydroxy-1-beta-D-ribofuranosylimidazole-4-carboxamideDTXSID80457774JR41A10VP1H-Imidazole-4-carboxamide, 5-hydroxy-1-beta-D-ribofuranosyl-NSC-289637DTXCID60257771-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-1H-imidazole-4-carboxamide
Weitere Namen anzeigen
bredinineHE 69bredininMizorbineb-BredininNSC 289637Mizoribine RS
1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-hydroxy-1H-imidazole-4-carboxamideRefChem:819016637-144-4HE-69MFCD000572211-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-hydroxy-1H-imidazole-4-carboxamideBRN 4151713
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,9
- Polarare Oberfläche (TPSA)
- 151 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 329
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 2000 C · >2000C
- Siedepunkt
- 402.47 °C · 402.47°C (rough estimate)
- Dichte
- 1.4155 · 1.4155 (rough estimate)
- Brechungsindex
- 1.51 · 1.5100 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- pka
- 6.75 · 6.75(at 25℃)
- Farbe
- White to Off-White
- Merck
- 14 · 14,6222
- InChI
- InChI=1/C9H13N3O6/c10-7(16)4-8(17)12(2-11-4)9-6(15)5(14)3(1-13)18-9/h2-3,5-6,9,13-15,17H,1H2,(H2,10,16)/t3-,5-,6-,9-/s3
- InChIKey
- HZQDCMWJEBCWBR-UUOKFMHZSA-N
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Mizoribine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29349990
- RTECS-Nr.
- NI3980000
- risk_code
- 46-60-61-36/37/38
- Toxizität
- LD50 in mice (g/kg): >1.5 i.v., >2.4 i.p. (Mizuno, 1975)
- hazard_code
- T
- safety_code
- 53-22-26-36/37/39-45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Agents that suppress immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-CELLS or by inhibiting the activation of HELPER CELLS. While immunosuppression has been brought about in the past primarily to prevent rejection of transplanted organs, new applications involving mediation of the effects of INTERLEUKINS and other CYTOKINES are emerging.
Substances that inhibit the growth or reproduction of BACTERIA.
Anwendungen
BeschreibungMizoribine is an orally active immunosuppressant isolated from Eupenicillium brefeldianum. It is reported to inhibit both cell-mediated and antibody mediated immune responses. Mizoribine is approved for use in the prevention of rejection of kidney transplants.
VerwendenMizoribine has been used in topical treatment to evaluate its effect on ocular surface damage of dry eye in B6 mice subjected to desiccating stress (DS). It has also been used as an inosine monophosphate dehydrogenase (IMPDH) inhibitor to test its in vivo efficacy.
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