吲哚-2-羧酸

COA

级别和纯度:

≥98%

CAS编号: 1477-50-5
分子式: C₉H₇NO₂
分子量: 161.16
Beilstein号: 124132
EC号: 216-030-4
MDL号: MFCD00005611
PubChem编号: 72899
PubChem SID: 488184733

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货号 (SKU)	包装规格	是否现货
I107987-5g	5g	现货
I107987-25g	25g	现货
I107987-100g	100g	现货
I107987-250g	250g	现货
I107987-500g	500g	现货
I107987-2.5kg	2.5kg	现货

查看相关系列

五元杂环化合物 (2065) 代谢物 (8911) 吡咯类 (536) 神经元信号传导 (3320) 离子型谷氨酸受体 (238) 离子通道 (4087) 膜转运器/离子通道 (1829)

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基本描述

别名	2-吲哚甲酸 \| 2-羧基吲哚 \| 吲哚-2-甲酸
英文别名	Indole-2-carboxylicAcid-13C \| MFCD00005611 \| carboxyindole \| FT-0627213 \| BCP00082 \| KBio2_004533 \| Z56347139 \| 1H-2-indolecarboxylic acid \| 2-Indolecarboxylic acid \| EN300-16592 \| SMR000112260 \| Spectrum_001485 \| Carbon monoxide monosulfide \| Indol-2-Car
规格或纯度	≥98%
英文名称	Indole-2-carboxylic Acid
应用	Reactant for total synthesis of (±)-dibromophakellin and analogs，Reactant for synthesis of the pyrrolizidine alkaloid (±)-trachelanthamidine，Reactant for stereoselective preparation of renieramycin G analogs, Reactant for preparation of spirooxoindolepyrrolidines via reduction of indole-2-carboxylic acid followed by oxidation, condensation, reduction, amidation and Kharasch radical cyclization,Reactant for Pd-catalyzed cyclization,Reactant for preparation of N,N′-(pentane)diylbis[indolecarboxamide] and N,N′-[phenylenebis(methylene)]bis[indolecarboxamide] derivatives
储存温度	充氩
运输条件	常规运输
产品介绍	易溶于乙醇、乙醚，能溶于热苯，不溶于水，不溶于石油醚。Reactant for total synthesis of (±)-dibromophakellin and analogs，Reactant for synthesis of the pyrrolizidine alkaloid (±)-trachelanthamidine，Reactant for stereoselective preparation of renieramycin G analogs, Reactant for preparation of spirooxoindolepyrrolidines via reduction of indole-2-carboxylic acid followed by oxidation, condensation, reduction, amidation and Kharasch radical cyclization,Reactant for Pd-catalyzed cyclization,Reactant for preparation of N,N′-(pentane)diylbis[indolecarboxamide] and N,N′-[phenylenebis(methylene)]bis[indolecarboxamide] derivatives Reactant for total synthesis of (±)-dibromophakellin and analogs，Reactant for synthesis of the pyrrolizidine alkaloid (±)-trachelanthamidine，Reactant for stereoselective preparation of renieramycin G analogs, Reactant for preparation of spirooxoindolepyrrolidines via reduction of indole-2-carboxylic acid followed by oxidation, condensation, reduction, amidation and Kharasch radical cyclization,Reactant for Pd-catalyzed cyclization,Reactant for preparation of N,N′-(pentane)diylbis[indolecarboxamide] and N,N′-[phenylenebis(methylene)]bis[indolecarboxamide] derivatives
纯度	≥98%

关联靶点（人）

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DAO Tchem D-氨基酸氧化酶(D-amino-acid oxidase) (1 活性数据)

点击查看靶蛋白信息： DAO

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SRD5A1 Tclin Steroid 5-alpha-reductase 1 (755 活性数据)

点击查看靶蛋白信息： SRD5A1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

SRD5A2 Tclin Steroid 5-alpha-reductase 2 (937 活性数据)

点击查看靶蛋白信息： SRD5A2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 活性数据)

点击查看靶蛋白信息： MCL1

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 活性数据)

点击查看靶蛋白信息： HSD17B10

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

DAO Tchem D-amino-acid oxidase (802 活性数据)

点击查看靶蛋白信息： DAO

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

DDO Tchem D-aspartate oxidase (120 活性数据)

点击查看靶蛋白信息： DDO

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 活性数据)

点击查看靶蛋白信息： KDM4E

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 活性数据)

点击查看靶蛋白信息： HPGD

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GMNN Tbio Geminin (128009 活性数据)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 活性数据)

点击查看靶蛋白信息： SLCO1B1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 活性数据)

点击查看靶蛋白信息： SLCO1B3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 活性数据)

点击查看靶蛋白信息： USP1

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关联靶点（其它种属）

HD1 Histone deacetylase (38 活性数据)

点击查看靶蛋白信息： HD1

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Pseudomonas aeruginosa (123386 活性数据)

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Klebsiella pneumoniae (43867 活性数据)

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Staphylococcus aureus (210822 活性数据)

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Acinetobacter baumannii (41033 活性数据)

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Escherichia coli (133304 活性数据)

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Cryptococcus neoformans (21258 活性数据)

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Candida albicans (78123 活性数据)

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rep Replicase polyprotein 1ab (378 活性数据)

点击查看靶蛋白信息： rep

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Mapt Microtubule-associated protein tau (6 活性数据)

点击查看靶蛋白信息： Mapt

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

NS3 NS3 (1121 活性数据)

点击查看靶蛋白信息： NS3

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Grin1 Glutamate NMDA receptor (6467 活性数据)

点击查看靶蛋白信息： Grin1

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)

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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	488184733
EC号	216-030-4
分子类型	小分子
IIUPAC Name	1H-indole-2-carboxylic acid
INCHI	1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
InChi Key	HCUARRIEZVDMPT-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C(N2)C(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C=C(N2)C(=O)O
分子量	161.16
Beilstein号	124132
Reaxy-Rn	124132
Reaxys-RN link address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124132&ln=

化学和物理性质

溶解性	Soluble in clear yellow solution 5% in ethanol, dimethyl sulfoxide and methanol.
密度	1.408
敏感性	对空气敏感
熔点	202-206°C
分子量	161.160 g/mol
XLogP3	2.300
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	2
可旋转键计数Rotatable Bond Count	1
精确质量Exact Mass	161.048 Da
单同位素质量Monoisotopic Mass	161.048 Da
拓扑极表面积Topological Polar Surface Area	53.100 Å²
重原子数Heavy Atom Count	12
形式电荷Formal Charge	0
复杂度Complexity	193.000
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	H302: 吞食有害 H312: 皮肤接触有害
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。 P270: 使用本产品时，请勿进食、饮水或吸烟。 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。 P330: 漱口 P301+P312: 如误吞咽：如感觉不适，呼叫急救中心/医生。 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。。。
WGK Germany	3
个人防护装备	Eyeshields,Gloves,type N95 (US),type P1 (EN143) respirator filter

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找到16个结果

批号(Lot Number)	证书类型	货号
I2114230	分析证书	I107987
I2114231	分析证书	I107987
I2114232	分析证书	I107987
J2421618	分析证书	I107987
J2421617	分析证书	I107987
C2031179	分析证书	I107987
E1930009	分析证书	I107987
K2419675	分析证书	I107987
E2209110	分析证书	I107987
E2209111	分析证书	I107987
E2209112	分析证书	I107987
E2209115	分析证书	I107987
E2209121	分析证书	I107987
E2209123	分析证书	I107987
K2223216	分析证书	I107987
I2414144	分析证书	I107987

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引用文献

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11. Gamze Bora-Tatar,Didem Dayangaç-Erden,Ayhan S Demir,Sevim Dalkara,Kemal Yelekçi,Hayat Erdem-Yurter. (2009-06-13) Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies.. Bioorganic & medicinal chemistry, 17 ((14)): (5219-5228). [PMID:19520580]
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16. Hagit Sason,Jean Marie Billard,Garrick Paul Smith,Hazem Safory,Samah Neame,Eitan Kaplan,Dina Rosenberg,Salman Zubedat,Veronika N Foltyn,Claus Tornby Christoffersen,Christoffer Bundgaard,Christian Thomsen,Avi Avital,Kenneth Vielsted Christensen,Herman Wolosker. (2016-01-23) Asc-1 Transporter Regulation of Synaptic Activity via the Tonic Release of d-Serine in the Forebrain.. Cerebral cortex (New York, N.Y. : 1991), 27 ((2)): (1573-1587). [PMID:26796213]
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27. Stephen P Nighswander-Rempel,Seth Olsen,Indumathy B Mahadevan,George Netchev,Brian C Wilson,Sean C Smith,Halina Rubinsztein-Dunlop,Paul Meredith. (2008-01-23) Effect of dimerization on vibrational spectra of eumelanin precursors.. Photochemistry and photobiology, 84 ((3)): (613-619). [PMID:18208453]
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溶液计算器

摩尔浓度计算器

计算溶液所需的质量、体积或浓度。

质量

浓度

体积

分子量

g/mol

稀释计算器

计算配制储备溶液所需的稀释度。

浓度1（C1）

体积 1 (V1)

浓度 2 (C2)

体积 2 (V2)

复溶计算器

复溶计算器允许您快速计算试剂的体积，以复溶小瓶。只需输入试剂的质量和目标浓度，计算器将确定其余部分。

体积（添加到小瓶中）

质量（小瓶）

所需的复溶浓度