S-甲基异硫脲硫酸盐

高选择性iNOS抑制剂

5篇引用文献

COA

级别和纯度:

≥98%

CAS编号: 867-44-7
分子式: C₄H₁₂N₄S₂·H₂SO₄
分子量: 278.36
Beilstein号: 3717365
EC号: 212-759-7
MDL号: MFCD00013055
PubChem编号: 13347
PubChem SID: 488181835

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货号 (SKU)	包装规格	是否现货
M108041-25g	25g	现货
M108041-100g	100g	现货
M108041-500g	500g	现货
M108041-2.5kg	2.5kg	现货

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Anti-infection (2804) HSV (103) Immunology/Inflammation (1938) NO Synthase (134) Virus (3767) 元素分类的化合物 (2083) 含硫化合物 (993)

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基本描述

别名	2-甲基-2-硫代异尿素硫酸盐 \| S-甲基异硫脲半硫酸盐 \| 2-甲基-2-硫代假脲半硫酸盐 \| S-甲基-ITU
英文别名	SMT \| AKOS003243960 \| S-METHYLISOTHIOUREA HEMISULFURIC ACID SALT \| s-methylisothiouronium sulfate \| SR-01000946617-1 \| NCGC00261440-01 \| 2-Methyl-2-thiopseudourea sulfate (2:1) \| bis((methylsulfanyl)methanimidamide); sulfuric acid \| EU-0100755 \| Carbamimi
规格或纯度	≥98%
英文名称	S-Methylisothiourea Sulfate
生化机理	iNOS的高度选择性，有效竞争抑制剂。
运输条件	常规运输
产品介绍	溶解度: 260 g/l水 (20°C) ， 4 g/l 甲醇
纯度	≥98%

关联靶点（人）

CYP2D6 Tclin 细胞色素 P450 2D6(Cytochrome P450 2D6) (1 活性数据)

点击查看靶蛋白信息： CYP2D6

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

CYP2C19 Tchem 细胞色素 P450 2C19(Cytochrome P450 2C19) (1 活性数据)

点击查看靶蛋白信息： CYP2C19

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 活性数据)

点击查看靶蛋白信息： CYP2D6

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 活性数据)

点击查看靶蛋白信息： CYP1A2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 活性数据)

点击查看靶蛋白信息： CYP2C9

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 活性数据)

点击查看靶蛋白信息： CYP2C19

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 活性数据)

点击查看靶蛋白信息： CYP3A4

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 活性数据)

点击查看靶蛋白信息： KDM4E

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

关联靶点（其它种属）

Npsr1 Neuropeptide S receptor (260 活性数据)

点击查看靶蛋白信息： Npsr1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

名称和识别符

PubChem SID	488181835
EC号	212-759-7
分子类型	小分子
IIUPAC Name	methyl carbamimidothioate;sulfuric acid
INCHI	1S/2C2H6N2S.H2O4S/c21-5-2(3)4;1-5(2,3)4/h21H3,(H3,3,4);(H2,1,2,3,4)
InChi Key	BZZXQZOBAUXLHZ-UHFFFAOYSA-N
Smiles	CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
Isomeric SMILES	CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
分子量	278.36
Beilstein号	3717365
Reaxy-Rn	3917217
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917217&ln=

化学和物理性质

溶解性	Soluble in water}
密度	1.28
敏感性	易吸湿
熔点	240-241°C
分子量	278.400 g/mol
XLogP3
氢键供体数Hydrogen Bond Donor Count	6
氢键受体数Hydrogen Bond Acceptor Count	8
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	278.018 Da
单同位素质量Monoisotopic Mass	278.018 Da
拓扑极表面积Topological Polar Surface Area	233.000 Å²
重原子数Heavy Atom Count	15
形式电荷Formal Charge	0
复杂度Complexity	124.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	0
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	3

安全和危险性（GHS）

象形图	GHS07
信号词	警告
危险声明	H302: 吞食有害
预防措施声明	P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P330: 漱口 P301+P312: 如误吞咽：如感觉不适，呼叫急救中心/医生。 P501: 将内容物/容器处理到。。。
WGK Germany	3
RTECS	UM9200000
个人防护装备	dust mask type N95 (US),Eyeshields,Gloves

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批号(Lot Number)	证书类型	货号
J2126733	分析证书	M108041
J2126737	分析证书	M108041
H2401138	分析证书	M108041
H2401141	分析证书	M108041
H2401139	分析证书	M108041
H2401140	分析证书	M108041
A2426037	分析证书	M108041
B2307270	分析证书	M108041
F1822032	分析证书	M108041
D2318274	分析证书	M108041
D2320074	分析证书	M108041

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引用文献

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溶液计算器

摩尔浓度计算器

计算溶液所需的质量、体积或浓度。

质量

浓度

体积

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g/mol

稀释计算器

计算配制储备溶液所需的稀释度。

浓度1（C1）

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复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

体积（添加到小瓶中）

质量（小瓶）

所需的复溶浓度