CAS 57078-98-5|N-Maleoyl-GABA|N-maleoyl-4-aminobutyric acid|γ-MALEIMIDOBUTYRIC ACID|4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid|4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid|...

基本信息

化学结构

分子式

C₈H₉NO₄

分子量

183.16136

精确质量

183.05315777

电荷

InChI

InChI=1S/C8H9NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h3-4H,1-2,5H2,(H,12,13)

InChIKey

NCPQROHLJFARLL-UHFFFAOYSA-N

Canonic Smiles

OC(=O)CCCN1C(=O)C=CC1=O

Isomeric Smiles

OC(=O)CCCN1C(=O)C=CC1=O

计算属性

JChem

Acid pKa

4.0619745

质子受体

质子供体

LogD (pH = 5.5)

-1.8586489

LogD (pH = 7.4)

-3.531021

Log P

-0.4085696

摩尔折射率

43.7871

极化性

16.444082

极化表面积

74.68

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

N-Maleoyl-GABAγ-MALEIMIDOBUTYRIC ACID4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acidγ-Maleimidobutyric acid4-Maleimidobutanoic acidN-(3-Carboxypropyl)maleimideN-Maleoyl-4-aminobutyric acid4-Maleimidobutyric acid2,5-Dihydro-2,5-dioxo-1H-pyrrole-1-butanoic Acid4-Maleimidobutyric Acid

IUPAC传统名

N-maleoyl-4-aminobutyric acid

IUPAC标准名

4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid

名称和标识

数据登录号

CAS号

PubChem SID

PubChem CID

Beilstein号

MDL号

数据登录号

化合物性质

产品相关信息

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

MP Biomedicals

02155307

(N-Maleoyl-GABA) Modification reagent for thiol groups in proteins

Sigma Aldrich

M8779

Application
Modification reagent for thiol groups in proteins

63174

Application
Modification reagent for thiol groups in proteins
Other Notes
SH-label for the modification of peptides and proteins1; Used for the preparation of a new bleomycin analog for enzyme immunoassay (EIA)2; probe for membrane SH-groups3,4

TRC

M135960

A short crosslinking reagent.

描述信息

参考文献

PubChem文献

数据源提供

• Rich, D.H., et al., J. Med. Chem., 18: 1004, (1975).

参考文献

生物活性

PubChem BioAssay

生物活性