MK 886
Grundinformationen
- CAS
118414-82-7- Standard-SMILES
CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1- InChIKey
QAOAOVKBIIKRNL-UHFFFAOYSA-N- Summenformel
- C27H34ClNO2S
- Durchschnittliche Molmasse
- 472,1 g/mol
- Monoisotopische Masse
- 471,19987801
Überblick
3-[3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid is a member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of arachidonate 5-lipoxygenase. It has a role as an antineoplastic agent, a leukotriene antagonist and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a member of indoles, a monocarboxylic acid, an aryl sulfide and a member of monochlorobenzenes.
Namen und Bezeichner
- Bevorzugter Name
- MK 886
- IUPAC
- 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
- Englischer Name
- MK-886
- Summenformel
- C27H34ClNO2S
- Molmasse
- 472.08
Namen und Synonyme
118414-82-7MK-886MK 886MK8863-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acidL-663,536CGS-81585080626SQ8CL-663536J328.555CDTXSID50410671-((4-Chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid
Weitere Namen anzeigen
MK866CS-1988MK-886 (Base)MK 886 - Bio-X ?MK-886 (L-663,536)MK-886 (Free Base)MK-886, 10 mM in DMSO
1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-3-(3-tert-butylsulfanyl-1-((4-chlorophenyl)methyl)-5-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acidRefChem:925952DTXCID30210671-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-1h-indole-2-propanoic acid1H-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acidMFCD00876710
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,6
- Polarare Oberfläche (TPSA)
- 67,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 638
Physikochemische Eigenschaften
- Schmelzpunkt
- 295 · 295-297°C
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- 32 mg/mL · DMSO: 32 mg/mL
- Aggregatzustand
- White solid.
- Farbe
- white
- Stabilität
- 1 year · Stable for 1 year as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months.
- InChI
- 1S/C27H34ClNO2S/c1-6-7-14-32-25-22-15-20(18(2)3)10-13-23(22)29(17-19-8-11-21(28)12-9-19)24(25)16-27(4,5)26(30)31/h8-13,15,18H,6-7,14,16-17H2,1-5H3,(H,30,31)
- InChIKey
- CBNCIYNCWVGEKJ-UHFFFAOYSA-M
- SMILES
- N1(CC2=CC=C(Cl)C=C2)C(CC(C)(C)C([O-])=O)=C(SC(C)(C)C)C2C=C(C(C)C)C=CC1=2.[Na+]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds 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
VerwendenMK-886 is a potent and selective inhibitor of FLAP and Cox-1.
Anbieter71 Anbieter
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州品高化工有限公司0571-87658025 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海波以尔化工有限公司[email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
Zugehörige Reaktionen
11
Notizen zur Verbindung
Wird geladen…