L-Chlormethyl-(2-phenyl-1-(p-toluolsulfonylamino)ethyl)keton
Nalpha-Tosyl-L-phenylalanine chloromethyl ketone
Grundinformationen
- CAS
402-71-1- Standard-SMILES
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1- InChIKey
MQUQNUAYKLCRME-INIZCTEOSA-N- Summenformel
- C17H18ClNO3S
- Durchschnittliche Molmasse
- 351,8 g/mol
- Monoisotopische Masse
- 351,06959212
Überblick
N-tosyl-L-phenylalanyl chloromethyl ketone is the N-tosyl derivative of L-phenylalanyl chloromethyl ketone. It has a role as an alkylating agent and a serine proteinase inhibitor. It is a sulfonamide and an alpha-chloroketone. It contains a L-phenylalanyl group.
Namen und Bezeichner
- Bevorzugter Name
- Nalpha-Tosyl-L-phenylalanine chloromethyl ketone
- IUPAC
- N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide
- Lokaler Name
- L-Chlormethyl-(2-phenyl-1-(p-toluolsulfonylamino)ethyl)keton
- Englischer Name
- Tosyl-L-Phenylalanine chloromethylketone
- Summenformel
- C17H18ClNO3S
- Molmasse
- 351.85
Namen und Synonyme
402-71-1TOSYLPHENYLALANYL CHLOROMETHYL KETONEN-Tosyl-L-phenylalanyl chloromethyl ketoneN-Tosyl-L-phenylalanine chloromethyl ketoneL-1-Tosylamido-2-phenylethyl chloromethyl ketonel-N-(alpha-(Chloroacetyl)phenethyl)-p-toluenesulfonamideDTXSID60883376N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamideP598716LJTNSC-727365Benzenesulfonamide, N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-4-methyl-, (S)-CHEBI:9642
Weitere Namen anzeigen
TPCK(S)-N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamideL-TPCKTOS-PHE-CMKTos-L-Phe-CMKTPCK USP/EP/BPTPCK, 10 mM in DMSO(-)-p-toluenesulfonamidTos-L-Phe-ChloromethaneTOS-PHE-CHLOROMETHYLKETONE
ChlorophenyltosylamidobutanoneTosylphenylalanyl ChloromethaneChloromethane, TosylphenylalanylN-((2S)-4-chloro-3-oxo-1-phenylbutan-2-yl)-4-methylbenzenesulfonamideBenzenesulfonamide, N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-, (S)-Chloromethyl Ketone, TosylphenylalanylKetone, Tosylphenylalanyl ChloromethylRefChem:831186
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 71,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 475
Experimentelle und physikochemische Eigenschaften
Solubility>52.8 [ug/mL] (The mean of the results at pH 7.4)
Physikochemische Eigenschaften
- Schmelzpunkt
- 106 · 106-108 °C(lit.)
- Siedepunkt
- 509.9 · 509.9±60.0 °C(Predicted)
- Dichte
- 1.135 · 1.1350 (rough estimate)
- Brechungsindex
- 1.61 · 1.6100 (estimate)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 10 mg/mL · DMSO: >10 mg/mL stable for several months at 4°C.
- Aggregatzustand
- powder
- pka
- 8.71 · 8.71±0.50(Predicted)
- Farbe
- white
- Biologische Quelle
- synthetic
- BRN
- 2895215 · 2895215
- Stabilität
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 3 months.
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
Danger
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationBenzenesulfonamide, N-(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Sicherheitsdaten
- F
- 10-19-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3335
- hs_code
- 29350090
- RTECS-Nr.
- XT5613500
- risk_code
- 37/38-41
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases.
Compounds which inhibit the synthesis of proteins. They are usually ANTI-BACTERIAL AGENTS or toxins. Mechanism of the action of inhibition includes the interruption of peptide-chain elongation, the blocking the A site of ribosomes, the misreading of the genetic code or the prevention of the attachment of oligosaccharide side chains to glycoproteins.
Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.
Verwendung und Herstellung
General Manufacturing InformationBenzenesulfonamide, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-: ACTIVE
Anbieter95 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海康朗生物科技有限公司
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