基本情報
- CAS
61345-84-4- 標準SMILES
CCNCCCNCCCCNCCCNCC- InChIKey
PGMIWVSHZMWSSI-UHFFFAOYSA-N- 分子式
- C14H34N4
- 平均分子量
- 258.45 g/mol
- 単同位体質量
- 258.2783471
概要
N(1),N(12)-diethylspermine is a substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group. It has a role as an antineoplastic agent. It is a substituted spermine, a tetramine, a polyazaalkane and a secondary amino compound.
名称と識別子
- 優先名称
- N1,N12-bis(ethyl)spermine
- IUPAC
- N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine
- 英語名
- N(1), N(12)-diethylspermine
- 分子式
- C14H34N4
- 分子量
- 258.45
名称と別名
N(1), N(12)-diethylspermine61345-84-43XXE6ARW3HDE-343N1,N12-bis(ethyl)spermineRefChem:9273611,12-Besmn,n'-bis[3-(ethylamino)propyl]butane-1,4-diamineN(1),N(12)-Bis(ethyl)spermineBe-3-4-3N(1),N(12)-DiethylspermineBIS(ETHYL)SPERMINE
名称をさらに表示
1,4-Butanediamine, N1,N4-bis[3-(ethylamino)propyl]-
N1,N1'-(butane-1,4-diyl)bis(N3-ethylpropane-1,3-diamine)3,7,12,16-tetraazaoctadecaneN1, N12-DIETHYLSPERMINEDTXSID50976862Bio1_000372Tocris-0500UNII-3XXE6ARW3HCHEMBL18794
データベース識別子
- CAS
61345-84-4- PubChem CID
- 4283
- DTXSID
DTXSID50976862- ChEMBL
CHEMBL18794- ChEBI
CHEBI:90282- UNII
- 3XXE6ARW3H
- Nikkaji
- J386.724B
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 48.1 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 15
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 126
物理化学的性質
- 融点
- 300 °C · >300 °C (decomp)(Solv: ethanol (64-17-5); ethyl acetate (141-78-6); water (7732-18-5))
- 沸点
- 368.4 · 368.4±10.0 °C(Predicted)
- 比重(密度)
- 0.876 · 0.876±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 11.09 · 11.09±0.19(Predicted)
化学と産業
薬理情報
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Endogenous or exogenous substances which inhibit the normal growth of human and animal cells or micro-organisms, as distinguished from those affecting plant growth (= PLANT GROWTH REGULATORS).
上流・下流製品情報
下流製品
補足説明
定義ChEBI: A substituted spermine that is spermine in which a hydrogen attached to each of the primary amino groups has been replaced by an ethyl group.
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