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异哌啶酸, GABA A 受体 α1 亚基的激动剂；GABA A 受体 α2 亚基的激动剂；GABA A 受体 α3 亚基的激动剂；GABA A 受体 α4 亚基的激动剂；GABA A 受体 α5 亚基的激动剂；GABA A 受体 α6 亚基的激动剂;GABA A 受体 ρ1 亚基的拮抗剂;GABA A 受体 ρ2 亚基的拮抗剂;GABA A 受体 ρ3 亚基的拮抗剂

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货号 (SKU) 包装规格 是否现货 价格 数量
I109586-10g
 10g 现货 Stock Image
I109586-100g
 100g 现货 Stock Image
I109586-250g
 250g 现货 Stock Image
I109586-500g
 500g 现货 Stock Image
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查看相关系列
GABA Receptor (181) GABAA receptor α1 subunit Agonist (5) GABAA receptor α2 subunit Agonist (5) GABAA receptor α3 subunit Agonist (5) GABAA receptor α4 subunit Agonist (4) GABAA receptor α5 subunit Agonist (5) GABAA receptor α6 subunit Agonist (5) GABAA receptor ρ1 subunit Antagonist (6) GABAA receptor ρ2 subunit Antagonist (6) GABAA receptor ρ3 subunit Antagonist (6) 神经元信号传导 (3320) 离子通道 (4087) 膜转运器/离子通道 (1829)
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基本描述

别名 哌啶-4-羧酸 | 4-哌啶甲酸 | 六氢异烟酸
英文别名 Acide piperidine-carboxylique-4 | EINECS 207-872-3 | Isonipecotic acid | iso-nipecotic acid | NCGC00015573-03 | SR-01000075617-1 | EN300-19594 | Acide isonipecotique | NCGC00015573-05 | s5612 | 4-Piperidinecarboxylic acid | SDCCGSBI-0050683.P002 | HY-Y117
规格或纯度 Moligand™, ≥98%
英文名称 Isonipecotic acid
储存温度 避光
运输条件 常规运输
作用类型 激动剂
作用机制 GABA A 受体 α1 亚基的激动剂；GABA A 受体 α2 亚基的激动剂；GABA A 受体 α3 亚基的激动剂；GABA A 受体 α4 亚基的激动剂；GABA A 受体 α5 亚基的激动剂；GABA A 受体 α6 亚基的激动剂;GABA A 受体 ρ1 亚基的拮抗剂;GABA A 受体 ρ2 亚基的拮抗剂;GABA A 受体 ρ3 亚基的拮抗剂
产品介绍

Isonipecotic acid is an important reactant for the synthesis of alkyl piperidine and piperazine hydroxamic acids as HDAC inhibitors. It is also used in the synthesis of antibiotic nitroxoline derivatives for cathepsin B inhibition. A HDAC inhibitor.

Isonipecotic acid is an important reactant for the synthesis of alkyl piperidine and piperazine hydroxamic acids as HDAC inhibitors. It is also used in the synthesis of antibiotic nitroxoline derivatives for cathepsin B inhibition.
A HDAC inhibitor.
纯度 ≥98%

关联靶点（人）

GABRR1 Tchem γ-氨基丁酸受体亚基rho-1(Gamma-aminobutyric acid receptor subunit rho-1) (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)
GABRR3 Tbio γ-氨基丁酸受体亚基 rho-3(Gamma-aminobutyric acid receptor subunit rho-3) (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)
GABRA1 Tclin γ-氨基丁酸受体亚基α-1(Gamma-aminobutyric acid receptor subunit alpha-1) (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)
GABRA3 Tclin γ-氨基丁酸受体亚基α-3(Gamma-aminobutyric acid receptor subunit alpha-3) (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)
GABRA4 Tclin γ-氨基丁酸受体亚基α-4(Gamma-aminobutyric acid receptor subunit alpha-4) (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)
GABRA5 Tclin γ-氨基丁酸受体亚基α-5(Gamma-aminobutyric acid receptor subunit alpha-5) (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)
GABRR2 Tchem γ-氨基丁酸受体亚基 rho-2(Gamma-aminobutyric acid receptor subunit rho-2) (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)
GABRA2 Tclin γ-氨基丁酸受体亚基α-2(Gamma-aminobutyric acid receptor subunit alpha-2) (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)
GABRA6 Tclin γ-氨基丁酸受体亚基α-6(Gamma-aminobutyric acid receptor subunit alpha-6) (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)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 活性数据)
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)
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)
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)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRR1 Tchem GABA receptor rho-1 subunit (233 活性数据)
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)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HEK293 (82097 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC36A1 Tchem Proton-coupled amino acid transporter 1 (102 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-3/beta-3/gamma-2 (1250 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRA1 Tclin GABA-A receptor; alpha-1/beta-3/gamma-2 (1565 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-5/beta-3/gamma-2 (1334 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-2/beta-3/gamma-2 (949 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRG2 Tclin GABA-A receptor; alpha-6/beta-3/gamma-2 (367 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRR2 Tchem GABA-C receptor (14 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRB2 Tclin GABA A receptor alpha-2/beta-2/gamma-2 (194 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRB2 Tclin GABA A receptor alpha-3/beta-2/gamma-2 (101 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）

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
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
nfo Endonuclease 4 (425 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Gabrp GABA-A receptor; anion channel (5731 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Gabrg2 GABA-A receptor; alpha-1/beta-2/gamma-2 (554 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Slc6a11 GABA transporter (190 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

PubChem SID 488179794
EC号 207-872-3
分子类型 小分子
IIUPAC Name piperidine-4-carboxylic acid
INCHI 1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
InChi Key SRJOCJYGOFTFLH-UHFFFAOYSA-N
Smiles C1CNCCC1C(=O)O
Isomeric SMILES C1CNCCC1C(=O)O
分子量 129.16
Beilstein号 112553
Reaxy-Rn 112553
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112553&ln=

化学和物理性质

溶解性 Solubility in Water：very faint turbidity
密度 1.125
敏感性 对光敏感
熔点 300°C
分子量 129.160 g/mol
XLogP3 -3.000
氢键供体数Hydrogen Bond Donor Count 2
氢键受体数Hydrogen Bond Acceptor Count 3
可旋转键计数Rotatable Bond Count 1
精确质量Exact Mass 129.079 Da
单同位素质量Monoisotopic Mass 129.079 Da
拓扑极表面积Topological Polar Surface Area 49.300 Ų
重原子数Heavy Atom Count 9
形式电荷Formal Charge 0
复杂度Complexity 108.000
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 1

安全和危险性（GHS）

象形图 GHS07
信号词 警告
危险声明

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激
预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P264: 处理后要彻底洗手。

P271: 仅在室外或通风良好的地方使用。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P321: 特殊处理（请参阅此标签上的...）。

P302+P352: 如皮肤沾染：用水充分清洗。

P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。

P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。

P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。

P405: 密闭存放

P403+P233: 存放在通风良好的地方。保持容器密闭。

P501: 将内容物/容器处理到。。。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P337+P317: 如果眼睛刺激持续：寻求医疗帮助。

P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。

P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany 3
RTECS NS5150000
Merck Index 5189
个人防护装备 dust mask type N95 (US),Eyeshields,Gloves

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G2429262 分析证书 I109586
G2429261 分析证书 I109586
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H1823120 分析证书 I109586
H1823121 分析证书 I109586
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D2514039 分析证书 I109586
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2. Jing Yuan,Ronald L Johnson,Ruili Huang,Jennifer Wichterman,Hongying Jiang,Karen Hayton,David A Fidock,Thomas E Wellems,James Inglese,Christopher P Austin,Xin-zhuan Su.  (2009-09-08)  Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum..  Nature chemical biology,  5  ((10)): (765-771).  [PMID:19734910]
3. Iris Thondorf,Valerie Voigt,Sarah Schäfer,Sabine Gebauer,Katja Zebisch,Linda Laug,Matthias Brandsch.  (2011-10-01)  Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1)..  Bioorganic & medicinal chemistry,  19  ((21)): (6409-6418).  [PMID:21955456]
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