Acyclic retinoid
Grundinformationen
- CAS
81485-25-8- Standard-SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C(=O)O- InChIKey
UUBHZHZSIKRVIV-KCXSXWJSSA-N- Summenformel
- C20H30O2
- Durchschnittliche Molmasse
- 302,5 g/mol
- Monoisotopische Masse
- 302,2245802
Überblick
Peretinoin is an orally available, acyclic retinoid with potential antineoplastic and chemopreventive activities. Peretinoin binds to and activates nuclear retinoic acid receptors (RAR), which in turn recruit coactivator proteins and promote, with other transcriptional complexes, the transcription of target genes. As a result, this agent may modulate the expression of genes involved in the regulation of cell proliferation, cell differentiation, and apoptosis of both normal and tumor cells.
Namen und Bezeichner
- Bevorzugter Name
- Acyclic retinoid
- IUPAC
- (2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acid
- Englischer Name
- Polyprenic
- Summenformel
- C20H30O2
- Molmasse
- 302.45
Namen und Synonyme
Peretinoin81485-25-8(2E,4E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,4,6,10,14-pentaenoic acidAcyclic retinoidDTXSID8013168263,7,11,15-Tetramethyl-2,4,6,10,14-hexadecapentaenoic acid11ALM7A4RV2,4,6,10,14-Hexadecapentaenoic acid, 3,7,11,15-tetramethyl-, (all-E)-peretinoinaperetinoineperetinoinumRefChem:171626
Weitere Namen anzeigen
PolyprenicPOLYPRENOICACIDPeretinoin (NIK-333NIK 333Peretinoin, 10 mM in DMSO4,5-Dehydrogeranylgeranoic acid4,5-Didehydrogeranylgeranoic acid
DTXCID201746653632-866-6NIK-333Peretinoin [INN]Peretinoin (JAN)E 5166NIK333E-5166
Datenbank-Bezeichner
- CAS
81485-25-8- PubChem CID
- 6437836
- DTXSID
DTXSID801316826- ChEMBL
CHEMBL4303228- UNII
- 11ALM7A4RV
- EC Number
- 632-866-6
- Nikkaji
- J1.628.090I、J533.293A、J711.895C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 496
Physikochemische Eigenschaften
- Siedepunkt
- 460.3 · 460.3±24.0 °C(Predicted)
- Dichte
- 0.943 · 0.943±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Acetonitrile (Slightly, Heated), Benzene (Slightly), Chloroform (Slightly)
- pka
- 4.79 · 4.79±0.33(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Pale Brown to Orange
- InChI
- 1S/C20H30O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h8-9,11,13-15H,6-7,10,12H2,1-5H3,(H,21,22)/b14-8+,17-11+,18-13+,19-15+
- InChIKey
- UUBHZHZSIKRVIV-KCXSXWJSSA-N
- SMILES
- OC(=O)\C=C(/C)\C=C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Anwendungen
VerwendenPeretinoin is an acyclic retinoid that may have the ability to inhibit hepatic carcinogenesis
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter37 Anbieter
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
苏州莱克施德药业有限公司0512-63970158-603 18018108880 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海珀法姆医药科技有限公司+86 18721201413 · [email protected]
南京罗迈美生物科技有限公司[email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
爱必信（上海）生物科技有限公司13761418683 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
Musechem+1-800-259-7612 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
常州新星联生物科技有限公司+86-0519-85551759 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
北京索莱宝科技有限公司17801761073 18101056239 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Zugehörige Reaktionen
1
Notizen zur Verbindung
Wird geladen…