CAS 353754-95-7|N-Biotinylcaproylaminoethyl methylthiosulphonate|6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanamido}-N-[2-(methanesulfonylsulfanyl)ethyl]hexanamide|MTSEA-BI...

基本信息

化学结构

分子式

C₁₉H₃₄N₄O₅S₃

分子量

494.69206

精确质量

494.16913321

电荷

InChI

InChI=1S/C19H34N4O5S3/c1-31(27,28)30-12-11-21-17(25)8-3-2-6-10-20-16(24)9-5-4-7-15-18-14(13-29-15)22-19(26)23-18/h14-15,18H,2-13H2,1H3,(H,20,24)(H,21,25)(H2,22,23,26)/t14-,15-,18-/m0/s1

InChIKey

PXMZUZLKVZKKHK-MPGHIAIKSA-N

Canonic Smiles

O=C(NCCCCCC(=O)NCCSS(=O)(=O)C)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2

Isomeric Smiles

N1C(=O)N[C@@H]2[C@H]1[C@@H](SC2)CCCCC(=O)NCCCCCC(=O)NCCSS(=O)(=O)C

计算属性

JChem

Acid pKa

13.483324

质子受体

质子供体

LogD (pH = 5.5)

-0.4420124

LogD (pH = 7.4)

-0.4420104

Log P

-0.44201005

摩尔折射率

123.8838

极化性

49.51814

极化表面积

133.47

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

IUPAC传统名

6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanamido}-N-[2-(methanesulfonylsulfanyl)ethyl]hexanamide

别名

N-Biotinylcaproylaminoethyl methylthiosulphonateMTSEA-BIOTINCAPN-Biotinylcaproylaminoethyl Methanethiosulfonate2-((6-((Biotinoyl)amino)hexanoyl)amino)ethyl methanethiosulfonate2-((6-((Biotinoyl)-amino)-hexanoyl)-amino)-ethyl-methanthiosulfonatMethanesulfonothioic Acid, S-[2-[[6-[[5-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-oxohexyl]amino]ethyl] EsterMTSEA Biotin-X

IUPAC标准名

6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-N-[2-(methanesulfonylsulfanyl)ethyl]hexanamide

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

数据登录号

化合物性质

产品相关信息

有效期

(limited shelf life, expiry date on the label)

Empirical Formula (Hill Notation)

C19H34N4O5S3

质检报告

下载链接

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

Apollo Scientific

OR9575T

Reacts specifically & rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABAA receptor channel.

Sigma Aldrich

91257

Biochem/physiol Actions
Thiol-reactive reagent for labeling proteins at cysteine residues to study structure and function.

TRC

B395750

Reacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.

描述信息

参考文献

PubChem文献

数据源提供

• Traebert, M.: J. Membr. Biol., 180, 83 (2001)

• Wagner, D.A.and Czajkowski, C.: J. Neurosci., 21, 67 (2001)

参考文献

生物活性

PubChem BioAssay

生物活性

数据来源

产品目录

学术数据

名称和标识

IUPAC传统名

6-{5-[(3aS,4S,6aR)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanamido}-N-[2-(methanesulfonylsulfanyl)ethyl]hexanamide

别名

IUPAC标准名

6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamido}-N-[2-(methanesulfonylsulfanyl)ethyl]hexanamide

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

化合物性质

产品相关信息

有效期

(limited shelf life, expiry date on the label)

Empirical Formula (Hill Notation)

C19H34N4O5S3

质检报告

下载链接

描述信息

Apollo Scientific

OR9575T

Reacts specifically & rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABAA receptor channel.

Sigma Aldrich

91257

Biochem/physiol Actions
Thiol-reactive reagent for labeling proteins at cysteine residues to study structure and function.

TRC

B395750

Reacts specifically and rapidly with thiols to form mixed disulfides. Used to probe the structures of the ACh receptor channel of the GABA receptor channel and of lactose permease.

参考文献

PubChem文献

数据源提供

• Traebert, M.: J. Membr. Biol., 180, 83 (2001)

• Wagner, D.A.and Czajkowski, C.: J. Neurosci., 21, 67 (2001)

生物活性

PubChem BioAssay

化合物信息

ID:92804