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西马特罗, β 1-肾上腺素受体激动剂;β 2-肾上腺素受体激动剂

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
C134199-10mg
10mg 期货 Stock Image

基本描述

别名 2-氨基-5-(1-羟基-2-异丙基氨基乙基)苯甲腈
英文别名 cimaterol | 54239-37-1 | Cimater | Cimaterolum | AB-A 663 | AC 263,780 | 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile | ABA-663 | ZPY8VRF0GB | AC-263780 | DTXSID2045652 | AB-A 66 | AB-A-66 | Cimaterol D7 | Benzonitrile, 2-amino-5-(1-hydroxy-2-((1-methylethyl)amino)eth
规格或纯度 Moligand™, 分析标准品
英文名称 Cimaterol
应用 An agonist of the β-AR adrenoreceptor.
运输条件 常规运输
作用类型 激动剂
作用机制 β 1-肾上腺素受体激动剂;β 2-肾上腺素受体激动剂
产品介绍

Cimaterol is a β-AR adrenergic agonist. AR (adrenoreceptors; adrenergic receptors) are a family of G protein-coupled proteins involved in a variety of sympathetic nervous system activities.An agonist of the β-AR adrenoreceptor.

Cimaterol is a β-AR adrenergic agonist. AR (adrenoreceptors; adrenergic receptors) are a family of G protein-coupled proteins involved in a variety of sympathetic nervous system activities.
An agonist of the β-AR adrenoreceptor.

关联靶点(人)

ADRB2 Tclin β-2肾上腺素受体(Beta-2 adrenergic receptor) (0 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
ADRB1 Tclin β-1肾上腺素受体(Beta-1 adrenergic receptor) (1 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB3 Tclin Beta-3 adrenergic receptor (5850 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
U2OS (164939 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
FPR2 Tchem Lipoxin A4 receptor (3472 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
FFAR4 Tchem G-protein coupled receptor 120 (2999 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GPR35 Tchem G-protein coupled receptor 35 (2643 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HEK-293T (167025 活性数据)
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)

Aplnr Apelin receptor (201 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mapk1 MAP kinase ERK2 (650 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Gpr119 Glucose-dependent insulinotropic receptor (270 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
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

EC号 632-644-9
分子类型 小分子
IIUPAC Name 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile
INCHI 1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
InChi Key BUXRLJCGHZZYNE-UHFFFAOYSA-N
Smiles CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
Isomeric SMILES CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O
关联CAS 54239-37-1
MeSH Entry Terms 5-(1-hydroxy-2-(isopropylamino)ethyl)anthranilonitrile;cimaterol;cimatrol;CL 263,780;CL-263,780
分子量 219.28
Beilstein号 2418129
Reaxy-Rn 2418129
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2418129&ln=

化学和物理性质

溶解性 Soluble in water (partly miscible), ethanol (100 mM), DMSO (100 mM), and methanol.
分子量 219.280 g/mol
XLogP3 1.700
氢键供体数Hydrogen Bond Donor Count 3
氢键受体数Hydrogen Bond Acceptor Count 4
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 219.137 Da
单同位素质量Monoisotopic Mass 219.137 Da
拓扑极表面积Topological Polar Surface Area 82.100 Ų
重原子数Heavy Atom Count 16
形式电荷Formal Charge 0
复杂度Complexity 258.000
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 1
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 1

安全和危险性(GHS)

象形图 GHS07
信号词 警告
WGK Germany 3
RTECS DI2457930
个人防护装备 dust mask type N95 (US), Eyeshields, Faceshields, Gloves

质检证书(CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:

此产品的引用文献

引用文献

1. Byrem TM, Beermann DH, Robinson TF.  (1998)  The beta-agonist cimaterol directly enhances chronic protein accretion in skeletal muscle..  J Anim Sci,  76  (4): (988-98).  [PMID:9581921]
2. Lanteng Wang, Jin Wang, Ang Zhang, Xin-an Huang, Hongtao Lei.  (2022)  Two binding epitopes modulating specificity of immunoassay for β-agonist detection: Quantitative structure–activity relationship.  FOOD CHEMISTRY,  371  (131071).  [PMID:34537613] [10.1016/j.foodchem.2021.131071]
3. Yufeng Zhou, Haijiao Zheng, Jiutong Ma, Qiong Jia.  (2017)  Preparation of a polymer monolith modified with delaminated layered double hydroxides for the microextraction of β-agonists.  JOURNAL OF SEPARATION SCIENCE,  40  (7): (1548-1555).  [PMID:28181395] [10.1002/jssc.201601324]
4. Liang Luo, Chaochao Chen, Jincheng Xiong, Yanton Pan, Qiang Li, Xiaonan Wang, Sihan Wang, Jianzhong Shen, Zhanhui Wang.  (2024)  Nanozyme–Enzyme Cascade Reaction-Enhanced Ratiometric Fluorescence Immunosensing Platform for Sensitive and Accurate Detection of Ractopamine.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,  72  (47): (26504-26513).  [PMID:39537347] [10.1021/acs.jafc.4c08869]

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