RS-504393
Grundinformationen
- CAS
300816-15-3- Standard-SMILES
Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2- InChIKey
ODNICNWASXKNNQ-UHFFFAOYSA-N- Summenformel
- C25H27N3O3
- Durchschnittliche Molmasse
- 417,5 g/mol
- Monoisotopische Masse
- 417,20524173
Überblick
6-methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]-2-spiro[1H-3,1-benzoxazine-4,4'-piperidine]one is a member of 1,3-oxazoles.
Namen und Bezeichner
- Bevorzugter Name
- RS-504393
- IUPAC
- 6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
- Englischer Name
- RS 504393
- Summenformel
- C25H27N3O3
- Molmasse
- 417.5
Namen und Synonyme
300816-15-3RS 504393RS-5043936-methyl-1'-(2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl)-1,2-dihydrospiro(3,1-benzoxazine-4,4'-piperidine)-2-one6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-oneRefChem:180092RS5043936-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one6-Methyl-1'-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-oneMFCD09038564CHEMBL1340746-Methyl-1'-(2-(5-methyl-2-phenyloxazol-4-yl)ethyl)spiro-[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one
Weitere Namen anzeigen
RS504393 >=98% (HPLC)RS 504393, 10 mM in DMSORS 504393, CCR2 chemokine receptor antagonist6-methyl-1'-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]spir...CC chemokine receptor,RS504393,Inhibitor,RS 504393,inhibit,CCR,RS-5043936-Methyl-1'-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethyl]-spiro[4H-3,1-benzoxazine-4,4'-piperidi
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,3
- Polarare Oberfläche (TPSA)
- 67,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 630
Physikochemische Eigenschaften
- Dichte
- 1.28 · 1.28
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 1 mg/mL, · DMSO: soluble1mg/mL, clear (warmed)
- Aggregatzustand
- powder
- pka
- 13.39 · 13.390±0.20(predicted)
- Farbe
- white to beige
- InChI
- 1S/C25H27N3O3/c1-17-8-9-22-20(16-17)25(31-24(29)27-22)11-14-28(15-12-25)13-10-21-18(2)30-23(26-21)19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,27,29)
- InChIKey
- ODNICNWASXKNNQ-UHFFFAOYSA-N
- SMILES
- N3(CCC4(OC(=O)Nc5c4cc(cc5)C)CC3)CCc1nc([o]c1C)c2ccccc2
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
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenRS 504393 is a small molecule antagonist at the CC chemokine receptor 2.
Anbieter75 Anbieter
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
泰州葛林美克医药科技有限公司15366892466 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
InvivoChem中国13549236410 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
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