Basic information
- CAS
2104-86-1- Standard SMILES
Cc1ccc(S(=O)(=O)NC(CCCCN)C(=O)CCl)cc1- InChIKey
RDFCSSHDJSZMTQ-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2O3S
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.0961414
Overview
An inhibitor of SERINE ENDOPEPTIDASES. Acts as an alkylating agent and is known to interfere with the translation process.
Names & identifiers
- Preferred name
- Tosyllysine Chloromethyl Ketone
- IUPAC
- N-(7-amino-1-chloro-2-oxoheptan-3-yl)-4-methylbenzenesulfonamide
- English name
- Tosyllysine chloromethyl ketone
- Molecular formula
- C14H21ClN2O3S
- Molecular weight
- 332.85
Names & synonyms
TOSYLLYSINE CHLOROMETHYL KETONE2104-86-1Tosyllysyl chloromethaneChlorotosylamidoaminoheptanoneBenzenesulfonamide, N-(5-amino-1-(chloroacetyl)pentyl)-4-methyl-Chloromethane, TosyllysylChloromethyl Ketone, TosyllysineKetone, Tosyllysine ChloromethylRefChem:190487N-(7-amino-1-chloro-2-oxoheptan-3-yl)-4-methylbenzenesulfonamideTosyl-Lys-CMKTosyl-K-CMK
Show more names
DTXSID908597212RL9FJ3XSDTosyl-Lys-ChloromethylketoneSCHEMBL200245Benzenesulfonamide, N-[5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-SCHEMBL5470145CHEMBL2316089CK004
Database identifiers
- CAS
2104-86-1- PubChem CID
- 4427
- DTXSID
DTXSID90859721- ChEMBL
CHEMBL2316089- UNII
- 2RL9FJ3XSD
- Nikkaji
- J215.809D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Physicochemical properties
- Boiling point
- 509.8 · 509.8±60.0 °C(Predicted)
- Density
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- pka
- 8.52 · 8.52±0.50(Predicted)
Chemistry & industry
Pharmacology
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.
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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