基本情報
- 標準SMILES
CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(OCCN(CC)CC)ccc1-2.Cl.Cl- InChIKey
BSVYJQAWONIOOU-UHFFFAOYSA-N- 分子式
- C25H36Cl2N2O3
- 平均分子量
- 483.5 g/mol
概要
Tilorone dihydrochloride is the dihydrochloride salt of tilorone. It is used as an antiviral drug to treat influenza, herpes infection, viral hepatitis, acute respiratory viral infections and SARS. It has a role as an antineoplastic agent, an antiviral drug, an interferon inducer, a nicotinic acetylcholine receptor agonist and an anti-inflammatory agent. It contains a tilorone(2+).
名称と識別子
- 優先名称
- Tilorone Hydrochloride
- IUPAC
- 2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one;dihydrochloride
- 英語名
- Tilorone dihydrochloride
- 分子式
- C25H36Cl2N2O3
- 分子量
- 483.47
名称と別名
Tilorone dihydrochloride27591-69-1Tilorone hydrochlorideTilorone HClAmixinNSC-143969AmiksinAmyxinBJ507J4LKY2,7-Bis[2-(diethylamino)ethoxy]fluoren-9-one dihydrochlorideHydrochloride, Tilorone9H-Fluoren-9-one, 2,7-bis(2-(diethylamino)ethoxy)-, dihydrochloride
名称をさらに表示
FluRmi 10008daTilorone DiHClTilolone hydrochloride2,7-Bis-deae-fluorenone
2,7-Bis(2-(diethylamino)ethoxy)fluoren-9-one dihydrochlorideCHEBI:1473569H-Fluoren-9-one, 2,7-bis[2-(diethylamino)ethoxy]-, dihydrochlorideRefChem:898123Tilorone 2HCl2,7-Bis[2-(diethylamino)ethoxy]-9-fluorenone dihydrochlorideTilorone (dihydrochloride)DEAE-F
データベース識別子
- CAS
27591-69-1- PubChem CID
- 33958
- ChEMBL
CHEMBL539581- ChEBI
CHEBI:147356- UNII
- BJ507J4LKY
- EC Number
- 631-065-9
物性
構造計算による物性
- 極性表面積
- 42 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 12
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 477
物理化学的性質
- Melting point
- 230 · 230-233 °C(lit.)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Methanol (Slightly)
- form
- Solid
- color
- Orange
- Merck
- 14 · 14,9440
- InChI
- InChI=1S/C25H34N2O3.2ClH/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19;;/h9-12,17-18H,5-8,13-16H2,1-4H3;2*1H
- InChIKey
- BSVYJQAWONIOOU-UHFFFAOYSA-N
- SMILES
- C12C=CC(OCCN(CC)CC)=CC=1C(=O)C1C=C(OCCN(CC)CC)C=CC2=1.Cl.Cl
- CAS DataBase Reference
- 27591 · 27591-69-1(CAS DataBase Reference)
- FDA UNII
- 507 J4LKY · BJ507J4LKY
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335-H351
- Precautionary statements
- 280 · P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338-P308+P313
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38-40
- Safety Statements
- 7 · 7-22-26-37/39
- WGK Germany
- 3 · 3
- RTECS
- 9000000 · LL9000000
- HS Code
- 2922.39 · 2922.39.4500
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Toxicity
- 50 in · LD50 in mice, rats (single dose): 959, 852 mg/kg orally; 145, 244 mg/kg i.p. (Krueger, Mayer)
安全と法規制
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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 CategoriesAcute Tox. 4 (100%)
安全データ
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- LL9000000
- hs_code
- 2922.39.4500
- Toxicity
- LD50 in mice, rats (single dose): 959, 852 mg/kg orally; 145, 244 mg/kg i.p. (Krueger, Mayer)
- risk_code
- 20/21/22-36/37/38-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 7-22-26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335-H351
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338-P308+P313
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that reduce or suppress INFLAMMATION.
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Agents that promote the production and release of interferons. They include mitogens, lipopolysaccharides, and the synthetic polymers Poly A-U and Poly I-C. Viruses, bacteria, and protozoa have been also known to induce interferons.
応用分野
DescriptionTilorone is an orally active, antiviral compound that induces interferon production and is reported to have antitumor, anti-inflammatory, and neuroprotective actions. With chronic administration, tilorone induces lysosomal glycosaminoglycan storage, rendering glycosaminoglycans resistant to enzymatic degradation.
UsesTilorone dihydrochloride is an orally active, interferon-inducing antiviral agent.
UsesTilorone dihydrochloride was used to study the interaction of drugs with synthetic self-complementary DNA by SPR (Surface Plasmon Resonance).
General DescriptionEffect of tilorone dihydrochloride on the changes of transmembrane potential of mitochondrial membranes of the isolated rat hepatocytes has been investigated. Tilorone dihydrochloride is an orally active, interferon-inducing antiviral agent.
上流・下流製品情報
上流原料
サプライヤー19 社
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
重庆卡兰医药有限公司023-62879767 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
苏州科为化学有限公司512-62706911 13401923197 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
常州迈诺进出口有限公司0519-85010339 13584504415 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京恩赐医药科技有限公司025-52714267-66 13813902930 · [email protected]
吉林省吉创致远医药有限公司19543148466 · [email protected]
補足説明
DefinitionChEBI: Tilorone dihydrochloride is the dihydrochloride salt of tilorone. It is used as an antiviral drug to treat influenza, herpes infection, viral hepatitis, acute respiratory viral infections and SARS. It has a role as an anti-inflammatory agent, an antineoplastic agent, an interferon inducer, a nicotinic acetylcholine receptor agonist and an antiviral drug. It contains a tilorone(2+).
関連反応
2 件
関連ノート
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