シスタミン二塩酸塩
Cystamine Dihydrochloride
基本情報
- CAS
56-17-7- 標準SMILES
Cl.Cl.NCCSSCCN- InChIKey
YUFRRMZSSPQMOS-UHFFFAOYSA-N- 分子式
- C4H12N2S2.2ClH
- 平均分子量
- 225.2 g/mol
- 単同位体質量
- 223.9975462
概要
See also: Cystamine (has active moiety).
名称と識別子
- 優先名称
- Cystamine Dihydrochloride
- IUPAC
- 2-(2-aminoethyldisulfanyl)ethanamine;dihydrochloride
- 現地名
- シスタミン二塩酸塩
- 英語名
- Cystamine dihydrochloride
- 分子式
- C4H14Cl2N2S2
- 分子量
- 225.2
名称と別名
Cystamine dihydrochloride56-17-7Cystamine HClCystamin dihydrochlorideEthanamine, 2,2'-dithiobis-, dihydrochlorideUSAF CB-342-Aminoethyl disulfide dihydrochloride2,2'-Dithiodi(ethylammonium) dichlorideBis(2-aminoethyl) disulfide dihydrochloride2,2'-Dithio-bis-(ethylamine) dihydrochlorideHydrochloride, CystamineI90T518457
名称をさらに表示
シスタミン二塩酸塩二塩酸シスタミン2,2'-ジチオビス(エタンアミン)·二塩酸塩2,2'-ジチオビス(エタンアミン)·2塩酸塩塩酸シスタミン2,2'-ジチオビス[エタンアミン]·2塩酸塩2,2'-ジチオビス(エチルアミン)二塩酸塩ビス(2-アミノエチル)ジスルフィド二塩酸塩シスタミン 二塩酸塩aed2,2'-disulfanediyldiethanaMine dihydrochlorideusafcb-34CystamineHclcystaminedihclCystamine 2HClTIMTEC-BB SBB003325Cystamine dihydrochLCYSTAMINIUM DICHLORIDE
Dihydrochloride, CystamineDTXSID6058766NSC-39322C2U867X2F7NSC39322RefChem:130221DTXCID7042013200-260-7
データベース識別子
- CAS
56-17-7- PubChem CID
- 5941
- DTXSID
DTXSID6058766- ChEMBL
CHEMBL1256388、CHEMBL1594935- UNII
- I90T518457
- EC Number
- 200-260-7
物性
構造計算による物性
- 極性表面積
- 103 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
- 5
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 37
実験および物理化学的性質
Chemical ClassesOther Classes -> Sulfur Compounds
Physical DescriptionSolid; [Merck Index] White odorless hygroscopic powder; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- 217 · 217-220 °C (dec.)(lit.)
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 2 O: · H2O: 可溶性、1.0g/10 mL、透明からほぼ透明、無色からほぼ無色 (<5.5 NTU)
- 外見
- 結晶性粉末、結晶またはチャンク
- 色
- 白から黄色
- 由来生物
- synthetic
- 水溶解度
- 溶ける
- Merck
- 14 · 14,2776
- BRN
- 3616850 · 3616850
- 安定性
- 安定。強力な酸化剤とは相容れない。
- InChI
- InChI=1S/C4H12N2S2.2ClH/c5-1-3-7-8-4-2-6;;/h1-6H2;2*1H
- InChIKey
- YUFRRMZSSPQMOS-UHFFFAOYSA-N
- SMILES
- S(CCN)SCCN.Cl.Cl
- CAS データベース
- 56 · 56-17-7(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Ethanamine, 2,2'-dithiobis-, dihydrochloride (56-17-7)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Ethanamine, 2,2'-dithiobis-, dihydrochloride
Ethanamine, 2,2'-dithiobis-, dihydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
Causes depressed renal function tests in acute inhalation studies of rats; Causes somnolence, convulsions, and respiratory depression in oral lethal-dose studies of rats and mice; [RTECS] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS] See Cystamine.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Adverse EffectsNeurotoxin - Other CNS neurotoxin
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- KR7260000
- hs_code
- 29309070
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
化学と産業
薬理情報
MeSH Pharmacological Classification
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.
Chemical agents that react with SH groups. This is a chemically diverse group that is used for a variety of purposes. Among these are enzyme inhibition, enzyme reactivation or protection, and labelling.
用途と製造
Uses
An anti-infective agent most commonly used in the treatment of urinary tract infections. Its anti-infective action derives from the slow release of formaldehyde by hydrolysis at acidic pH. (From Martindale, The Extra Pharmacopoeia, 30th ed, p173) [ChemIDplus]
Household ProductsInformation on 1 consumer products that contain Cystamine dihydrochloride in the following categories is provided:
General Manufacturing InformationEthanamine, 2,2'-dithiobis-, hydrochloride (1:2): ACTIVE
応用分野
用途有機合成用試薬。
使用Cystamine dihydrochloride acts as an anti-infective agent, which is used in the treatment of urinary tract infections. It is also used as a radiation-protective agent that interferes with sulfhydryl enzymes. Further, it serves as a heparin antagonist and sulfhydryl modifying reagent. In addition to this, it is used as an inhibitor of TGase.
調製方法
純化方法Recrystallise the salt by dissolving in EtOH containing a few drops of dry EtOH/HCl, filtering and adding dry Et2O. The solid is dried in a vacuum and stored in a dry and dark atmosphere. It has been recrystallised from EtOH (solubility: 1g in 60mL of boiling EtOH) or MeOH (plates). The free base has b 90-Purification of Biochemicals — Amino Acids and Peptides 100o/0.001mm, 106-108o/5mm and 135-136o/760mm, d 4 1.1559, n D 1.5720. [Verly & Koch Biochem J 58 663 1954, Gonick et al. J Am Chem Soc 76 4671 1954, Jackson & Block J Biol Chem 113 137 1936.] The dihydrobromide has m 238-239o (from EtOH/Et2O) [Viscontini Helv Chim Acta 36 835 1953]. [Beilstein 4 H 287, 4 IV 1578.]
関連反応
9 件
化合物ノート
読み込み中…