ベンズアミジン塩酸塩

Benzamidine, hydrochloride

HCID 80289CAS 1670-14-0

基本情報

標準SMILES
Cl.N=C(N)c1ccccc1
InChIKey
LZCZIHQBSCVGRD-UHFFFAOYSA-N
分子式
C7H8N2.ClH
平均分子量
156.61 g/mol
単同位体質量
156.04542597

名称と識別子

優先名称
Benzamidine, hydrochloride
IUPAC
benzenecarboximidamide;hydrochloride
現地名
ベンズアミジン塩酸塩
英語名
Benzamidine hydrochloride
分子式
C7H9ClN2
分子量
156.61

名称と別名

Benzamidine hydrochloride1670-14-0Benzenecarboximidamide, monohydrochlorideAmidinobenzene hydrochlorideBenzamidine, hydrochlorideBenzamidine, monohydrochlorideAmidinobenzene hydrochloride (1:1)DTXSID9044401Benzenecarboximidamide, hydrochloride (1:1)NSC-20200G112W4L27DTXCID7024401
名称をさらに表示
ベンズアミジン塩酸塩ベンザミジン·塩酸塩ベンズアミジン·塩酸塩ベンズアミジン·塩酸ベンズイミドアミド=一塩酸塩ベンゼンカルボアミジン·塩酸塩ベンズアミジン塩酸塩 [生化学用]ベンゼンカルボキシミドアミド=モノヒドロクロリドBENZAMIDINE-HCL RESEARCH GRADEベンゼンカルボキシイミドアミド塩酸塩ベンズアミジン塩酸塩 HYDRATE1M ベンズアミジン塩酸塩 溶液ベンズアミジン 塩酸塩benzamidine hydroxychlorides-dimethylesterBENZAMIDE HCL H2OBenzamidine hydrochlbenzamidiniumchlorideenzamidine hydrochloride
RefChem:563020216-795-4Benzimidamide hydrochlorideBENZAMIDINE HCLBenzenecarboximidamide hydrochlorideBenzamidinium chloride477904-89-5MFCD00013025

データベース識別子

CAS
1670-14-0
PubChem CID
80289
DTXSID
DTXSID9044401
ChEMBL
CHEMBL537204
UNII
0G112W4L27
EC Number
216-795-4

物性

構造計算による物性

極性表面積
49.9 Ų
水素結合供与体数
3
水素結合受容体数
1
回転可能結合数
1
重原子数
10

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Vapor Pressure0.02 [mmHg]
Physical DescriptionBeige crystalline solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点
86 · 86-88 °C(lit.)
貯蔵温度
2 · 2-8°C
溶解性
25 mg/ml; · DMF: 25mg/ml; DMSO: 25mg/ml エタノール: 10mg/ml; PBS (pH 7.2): 3mg/ml
外見
粉
色
ホワイトからオフホワイト
PH
4 to · 4.0 to 6.5(50g/L, 25 ℃)

化学的性質

化学的特性white to off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 166 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzenecarboximidamide, monohydrochloride

Status: Active Update: 24-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24030

Benzenecarboximidamide, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses somnolence and lung changes in intraperitoneal lethal-dose studies of mice (LD50 = 580 mg/kg); [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Pentamidine isethionate.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

F
3-21
wgk
3
tsca
TSCA listed
rtecs
CV6260000
hs_code
29252900
risk_code
36/37/38

化学と産業

薬理情報

MeSH Pharmacological ClassificationExogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.

用途と製造

General Manufacturing InformationBenzenecarboximidamide, hydrochloride (1:1): ACTIVE
応用分野 · 2 件

説明Benzamidine hydrochloride is a reversible inhibitor of trypsin, trypsin-like enzymes, and serine proteases. A concentration of approximately 1 mM is used for general protease inhibition. To inhibit proteases from yeast, a range of 0.5 to 4.0 mM is used and it is for the most part interchangeable with pepstatin A.In addition to being a strong competitive inhibitor of trypsin, benzamidine HCl has been also shown to be a strong competitive inhibitor of thrombin and plasmin. It was also found to be as effective as aprotinin in the prevention of glucagon degradation in human plasma.

使用Benzamidine is a reversible inhibitor of serine proteases, including trypsin, plasmin, and thrombin (Kis = 35, 350, and 220 μM, respectively). In addition to its use as a general serine protease inhibitor, benzamidine is used, when immobilized, to purify novel proteases.

調製方法 · 1 件

製造方法To a stainless steel rocking autoclave equipped with a stirrer is added 103.0 gm (1.0 mole) of benzonitrile, 214.0 gm (4.0 mole) of ammonium chloride, and 306.0 gm (18.0 mole) of ammonia is introduced by means of a transfer bomb. The reaction mixture is heated at 150°C for 18 hr (pressure: 1300-6500 psig), cooled, and, with appropriate precautions for the safe control of the excess ammonia, is vented to atmospheric pressure. The reaction mixture is extracted with ether to remove approximately 5% unreacted benzonitrile, and then extracted with hot acetonitrile or ethanol to separate the amidine hydrochloride from the unreacted ammonium chloride. Concentration of the latter affords 120.5 gm (77%) of benzamidine hydrochloride, m.p. 161-163°C.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

関連反応

95 件

関連ノート

読み込み中…