Veliflapon
Grundinformationen
- CAS
128253-31-6- Standard-SMILES
O=C(O)[C@@H](c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1- InChIKey
ZEYYDOLCHFETHQ-JOCHJYFZSA-N- Summenformel
- C23H23NO3
- Durchschnittliche Molmasse
- 361,4 g/mol
- Monoisotopische Masse
- 361,1677936
Überblick
Veliflapon is under investigation in clinical trial NCT00353067 (Veliflapon (Dg-031)to Prevent Heart Attacks or Stroke in Patients With a History of Heart Attack or Unstable Angina).
Namen und Bezeichner
- Bevorzugter Name
- Veliflapon
- IUPAC
- (2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
- Englischer Name
- (2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid
- Summenformel
- C23H23NO3
- Molmasse
- 361.43
Namen und Synonyme
Veliflapon128253-31-6Bay-x-1005DG-031BAY X-1005JXH6X663L0DTXSID60155843veliflaponumRefChem:901779DTXCID4078334Bay X 1005BAY-X 1005
Weitere Namen anzeigen
DG 031BAY 1005VelifaponBAY-X-1005 >=98% (HPLC)ZEYYDOLCHFETHQ-JOCHJYFZSA-N2-(4-(quinolin-2-yl-methoxy)phenyl)-2-cyclopentylacetic acidα-Cyclopentyl-4-(2-quinolinylmethoxy)-(R)-benzeneacetic acid(αR)-α-Cyclopentyl-4-(2-quinolinylmethoxy)-benzeneacetic acid
Bay-X1005(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acidCHEMBL887122-Cyclopentyl-2-(2-((4-formylquinolin-2-yl)methoxy)phenyl)acetic acid(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acidBayx-1005Bay X1005Veliflapon [USAN]
Datenbank-Bezeichner
- CAS
128253-31-6- PubChem CID
- 123723
- DTXSID
DTXSID60155843- ChEMBL
CHEMBL88712- UNII
- JXH6X663L0
- EC Number
- 802-979-7
- Nikkaji
- J536.106K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,4
- Polarare Oberfläche (TPSA)
- 59,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 482
Physikochemische Eigenschaften
- Schmelzpunkt
- 169 · 169-171 °C
- Siedepunkt
- 555.4 · 555.4±40.0 °C(Predicted)
- Dichte
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 5 mg/mL · DMSO: soluble5mg/mL (clear solution)
- Aggregatzustand
- powder
- pka
- 4.47 · 4.47±0.10(Predicted)
- Farbe
- white to beige
- InChI
- 1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
- InChIKey
- ZEYYDOLCHFETHQ-JOCHJYFZSA-N
- SMILES
- OC(=O)[C@H](C1CCCC1)c2ccc(OCc3ccc4ccccc4n3)cc2
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
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.
Compounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.
Anwendungen
VerwendenPrevention of acute cardiovascular events.
Anbieter14 Anbieter
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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