基本情報
- CAS
50924-49-7- 標準SMILES
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O- InChIKey
HZQDCMWJEBCWBR-UUOKFMHZSA-N- 分子式
- C9H13N3O6
- 平均分子量
- 259.22 g/mol
- 単同位体質量
- 259.08043514
概要
Mizoribine is a member of imidazoles. It has a role as an anticoronaviral agent.
名称と識別子
- 優先名称
- Mizoribine
- IUPAC
- 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
- 現地名
- ミゾリビン
- 英語名
- Mizoribine
- 分子式
- C9H13N3O6
- 分子量
- 259.22
名称と別名
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
名称をさらに表示
ブレディニン5-ヒドロキシ-1-β-D-リボフラノシル-1H-イミダゾール-4-カルボキサミドミゾリビンブレジニン5-ヒドロキシ-1-β-D-リボフラノシル-1H-イミダゾール-4-カルボアミド1-(β-D-リボフラノシル)-5-ヒドロキシイミダゾール-4-カルボキサミドミゾリビン HYDROBROMIDEミゾリビン (JP17)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
データベース識別子
- CAS
50924-49-7- PubChem CID
- 104762
- DTXSID
DTXSID8045777- ChEMBL
CHEMBL245019- ChEBI
CHEBI:31858- UNII
- 4JR41A10VP
- EC Number
- 637-144-4
- Nikkaji
- J3.188G
物性
構造計算による物性
- XLogP
- -1.9
- 極性表面積
- 151 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 7
- 回転可能結合数
- 3
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 329
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
物理化学的性質
- 融点
- 2000 C · >2000C
- 比旋光度
- 27 · D27 -35° (c = 0.8 in H2O)
- 沸点
- 402.47 °C · 402.47°C (rough estimate)
- 比重(密度)
- 1.4155 · 1.4155 (rough estimate)
- 屈折率
- 1.51 · 1.5100 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- DMSO（微量）、水（微量）
- 外見
- 個体
- 酸解離定数(Pka)
- 6.75 · 6.75(at 25℃)
- 色
- ホワイトからオフホワイト
- 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
- SMILES
- C1N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(O)=C(C(N)=O)N=1 |&1:2,4,7,9,r|
- CAS データベース
- 50924 · 50924-49-7(CAS DataBase Reference)
化学的性質
化学的特性Crystalline Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
毒性情報
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
Mizoribine
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
安全データ
- wgk
- 3
- rtecs
- NI3980000
- 毒性
- LD50 in mice (g/kg): >1.5 i.v., >2.4 i.p. (Mizuno, 1975)
- hs_code
- 29349990
- risk_code
- 46-60-61-36/37/38
- hazard_code
- T
- safety_code
- 53-22-26-36/37/39-45
- Hazard Classifications
- Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT SE 3
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
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.
応用分野
用途核酸のプリン合成系を阻害す る代謝拮抗物質です。核酸合成を抑制して T 細胞及び B 細胞の増殖を阻害作用を示しま す。
説明Mizoribine 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.
使用Mizoribine 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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