CAS 86867-01-8|SAM chloride dihydrochloride|Active methionine|[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium chloride|AdoMe...

基本信息

化学结构

分子式

C₁₅H₂₃ClN₆O₅S

分子量

434.89832

精确质量

434.11391655

电荷

InChI

InChI=1S/C15H22N6O5S.ClH/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H/t7-,8+,10+,11+,14+,27?;/m0./s1

InChIKey

DYFPQIYEZQULMZ-XKGORWRGSA-N

Canonic Smiles

C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N.[Cl-]

Isomeric Smiles

C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O.[Cl-]

计算属性

JChem

Acid pKa

1.7050823

质子受体

质子供体

LogD (pH = 5.5)

-5.2821784

LogD (pH = 7.4)

-5.3258553

Log P

-5.3224516

摩尔折射率

96.2349

极化性

38.568764

极化表面积

182.63

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

SAM chloride dihydrochlorideActive methionineAdoMetS-(5′-Adenosyl)-L-methionine chloride dihydrochloride5'-[[(3S)-3-Amino-3-carboxypropyl]methylsulfonio]-5'-deoxyadenosine DisulfateL-S-Adenosylmethionin DisulfateS-Adenosyl-L-methionine DisulfateAdemetionine DisulfateS-Adenosylmethionine DisulfateS-(5'-Adenosyl)-L-methionine Disulfate Salt (Synthetic)(Mixture of Diastereomers)5'-[(L-3-Amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine DisulfateActive Methionine Disulfate

IUPAC标准名

[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium chloride

IUPAC传统名

SAMe chloride

名称和标识

数据登录号

EC号

PubChem SID

CAS号

Beilstein号

MDL号

PubChem CID

数据登录号

化合物性质

安全信息

德国WGK号

-20°C

下载链接

Hygroscopic, -20°C Freezer, Under Inert Atmosphere

产品相关信息

≥80%

from yeast (L-Methionine enriched)

dry ice

下载链接

化合物性质

分子相关蛋白质

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分子图谱

暂无数据

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描述信息

Sigma Aldrich

A7007

Analysis Note
Purity based on UV and HPLC.
Caution
This material is 80-90% pure when prepared, but is very unstable. As much as 10% purity loss per day at 25 °C has been noted.
Biochem/physiol Actions
Methyl donor; cofactor for enzyme-catalyzed methylations, including catechol O-methyltransferase (COMT) and DNA methyltransferases (DNMT). Although present in all cells, it is concentrated in liver where 85% of all methylation reactions occur. It is also involved in regulating liver function, growth, and response to injury.

TRC

A291530

Methyl donor; cofactor for enzyme-catalyzed methylations, including catechol O-methyltransferase (COMT) and DNA methyltransferases (DNMT). Although present in all cells, it is concentrated in liver where 85% of all methylation reactions occur. It is also

描述信息

参考文献

PubChem文献

数据源提供

• Friedel, H., et al.: Drugs, 38, 389 (1989)

• Lu, S., et al.: Int. J. Biochem. Cell Biol., 32, 391 (1989)

• Amin, K., et al.: Pharm. Res., 18, 914 (1989)

参考文献

生物活性

PubChem BioAssay

生物活性