基本情報
- CAS
2104-86-1- 標準SMILES
Cc1ccc(S(=O)(=O)NC(CCCCN)C(=O)CCl)cc1- InChIKey
RDFCSSHDJSZMTQ-UHFFFAOYSA-N- 分子式
- C14H21ClN2O3S
- 平均分子量
- 332.8 g/mol
- 単同位体質量
- 332.0961414
概要
An inhibitor of SERINE ENDOPEPTIDASES. Acts as an alkylating agent and is known to interfere with the translation process.
名称と識別子
- 優先名称
- Tosyllysine Chloromethyl Ketone
- IUPAC
- N-(7-amino-1-chloro-2-oxoheptan-3-yl)-4-methylbenzenesulfonamide
- 英語名
- Tosyllysine chloromethyl ketone
- 分子式
- C14H21ClN2O3S
- 分子量
- 332.85
名称と別名
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
名称をさらに表示
DTXSID908597212RL9FJ3XSDTosyl-Lys-ChloromethylketoneSCHEMBL200245Benzenesulfonamide, N-[5-amino-1-(2-chloroacetyl)pentyl]-4-methyl-SCHEMBL5470145CHEMBL2316089CK004
データベース識別子
- CAS
2104-86-1- PubChem CID
- 4427
- DTXSID
DTXSID90859721- ChEMBL
CHEMBL2316089- UNII
- 2RL9FJ3XSD
- Nikkaji
- J215.809D
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 97.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 9
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 414
物理化学的性質
- 沸点
- 509.8 · 509.8±60.0 °C(Predicted)
- 比重(密度)
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.52 · 8.52±0.50(Predicted)
化学と産業
薬理情報
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.
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