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26

抑制剂 & 化合物

6

天然产物

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Cat. No.	Product Name	Target	Signaling Pathways
T19658	Enflurane NSC115944,Ethrane,NSC-115944,恩氟烷,Efrane,NSC 115944	Others	Others
	Enflurane (Efrane) 是一种挥发性麻醉剂，是 Chara australis 高电导 Ca2+ 激活的 K+ 通道的有效抑制剂。安氟醚是通过顶空气相色谱-质谱法监测卤化挥发性麻醉剂的内标。它可以快速调整麻醉深度，而脉搏或呼吸频率几乎没有变化。
T7460	α-Cyano-4-hydroxycinnamic acid α-Cyano-4-hydroxycinnamic acid(α-CHCA),2-氰基-4-羟基	Monocarboxylate transporter	Membrane transporter/Ion channel
	α-Cyano-4-hydroxycinnamic acid (α-Cyano-4-hydroxycinnamic acid(α-CHCA)) 是非竞争性单羧酸盐转运蛋白 (MCTs) 抑制剂，可抑制线粒体丙酮酸转运蛋白，Ki 值为 6.3 μM。它可作为基质辅助激光解吸电离-飞行时间质谱 (MALDI-TOF) 分析的基质，可以促进肽离子化。
T37514	Hydroxy Dimetridazole	Drug Metabolite	Metabolism
	Hydroxy Dimetridazole 是Dimetridazol 的羟基化代谢产物。Dimetridazol 是一种硝基咪唑类药物，可用于对抗原生动物感染。
T33789	Oleoyl proline N-Oleoyl-l-proline
	Oleoyl proline is an N-acyl amine that can be detected in bovine brain extracts and D. melanogaster larvae using mass spectrometry. In a preclinical model of pain, mice lacking fatty acid amide hydrolase (FAAH KO) had decreased N-oleoyl proline levels in
T38466	4-APC hydrobromide
	4-APC hydrobromide is a potent and specific aldehyde derivatization agent. It contains an aniline moiety that enables rapid and selective reaction with aliphatic aldehydes, as well as a quaternary ammonium group that enhances sensitivity in mass spectrometry (MS) analysis. By utilizing 4-APC hydrobromide, aldehydes can be detected with exceptional sensitivity and selectivity using MS.
T19945	N,N'-Carbonyldiimidazole 1,1'-Carbonyldiimidazole,N,N'-Carbonyldiimidazole,CDI Crosslinker	Others	Others
	N,N'-Carbonyldiimidazole 是一种生物交联剂，在质谱检测化合物纯度上有很大的应用。
T37658	MitoP
	MitoP is a phenol product produced by the reaction of H2O2 with the ratiometric mass spectrometry probe MitoB . MitoB contains a triphenylphosphonium cation component that drives its accumulation in mitochondria where its arylboronic moiety selectively reacts with H2O2 to produce MitoP. Quantifying the MitoP/MitoB ratio by LC-MS/MS reflects the mitochondrial matrix H2O2 concentration.
T38012	SNOB 1 Reagent
	SNOB 1 Reagent is a biotinylated probe for detecting S-nitrosylated proteins in a single step. S-Nitrosylated binding (SNOB) proceeds rapidly on surface proteins or cell lysates under normal physiological conditions. Proteins tagged with SNOB 1 Reagent can be analyzed using avidin-linked probes (e.g., by immunoblot) or by mass spectrometry.
T73752	Glutarylcarnitine lithium
	Glutarylcarnitine lithium 丙二酸尿症和 I 型戊二酸尿症的重要诊断代谢物。
T76232	Z-DEVD-AMC
	Z-DEVD-AMC 是一种选择性 caspase-3 底物，可通过荧光光谱法测量。 AMC 可用作基于 AMC 的酶底物 (包括基于 AMC 的半胱天冬酶底物) 的荧光参考标准。
T36128	Tolmetin β-D-Glucuronide
	Tolmetin β-D-Glucuronide 与人血清白蛋白具有反应特性，可通过串联质谱法鉴定结合位点和反应机制。
T13904	18:0 LYSO-PE Stearoyl lysophosphatidylethanolamine	Others	Others
	18:0 LYSO-PE 是一种诱导[Ca2+]i 增加的化合物，18:0 LYSO-PE 可用作电喷雾质谱（ESI-MS）/MS 进行脂质分析的磷脂（PL）标准。
T36731	Cholesteryl Heptadecanoate
	Cholesteryl heptadecanoate is a cholesterol ester (CE) formed by the condensation of cholesterol with heptadecanoic acid, a C-17 saturated fatty acid that does not occur in any natural animal or vegetable fat at high concentrations. As such, it is commonly used as an internal standard for the quantification of cholesterol esters by GC- or LC-mass spectrometry. CEs are major constituents of lipoprotein particles carried in blood and accumulate in the fatty acid lesions of atherosclerotic plaques....
T36223	MitoA
	MitoA is a ratiometric mass spectrometry probe that can be used for assessing changes in H2S within mitochondria in vivo. MitoA contains a triphenylphosphonium cation component that drives its accumulation in mitochondria where its aryl azide moiety selectively reacts with H2S to produce an amine product, MitoN. Quantifying the MitoN/MitoA ratio by LC-MS/MS reflects the mitochondrial matrix H2S concentration. In a mouse model of acute myocardial infarction with MitoA administered prior to ischem...
T37311	Dichloroiodomethane
	Dichloroiodomethane is a natural compound in human beings[1]. [1]. Lalith K. Silva, et al. Quantification of Dichloroiodomethane and Bromochloroiodomethane in Human Blood by Solid-Phase Microextraction Coupled with Gas Chromatography-High-Resolution Mass Spectrometry. Journal of Analytical Toxicology, Volume 30, Issue 9, November-December 2006, Pages 670-678.
T38135	3,4-Dehydro Cilostazol
	3,4-Dehydro Cilostazol (OPC-13015) is an active metabolite of Cilostazol. 3,4-Dehydro Cilostazol is used for pharmacokinetic study[1]. [1]. T R S Satheeshmanikandan, et al. Liquid Chromatography - Tandem Mass Spectrometry for the Simultaneous Quantitation of Glipizide, Cilostazol and Its Active Metabolite 3, 4-dehydro-cilostazol in Rat Plasma: Application for a Pharmacokinetic Study. Arzneimittelforschung. 2012 Sep;62(9):425-32.
T36989	N-3-hydroxydecanoyl-DL-Homoserine lactone
	N-3-hydroxydecanoyl-DL-Homoserine lactone is a bacterial quorum-sensing molecule.1It activates SdiA (EC50= 0.6 μM), a transcription factor that detects N-acyl homoserine lactones (AHLs), in the 14028/pJNS25 strain ofS. enterica.2 1.Fekete, A., Frommberger, M., Rothballer, M., et al.Identification of bacterial N-acylhomoserine lactones (AHLs) with a combination of ultra-performance liquid chromatography (UPLC), ultra-high-resolution mass spectrometry, and in-situ biosensorsAnal. Bioanal. Chem.387...
T37333	(±)11(12)-DiHET MaxSpec® Standard
	(±)-11(12)-DiHET is an oxylipin. 11(S),12(S)-DiHET and 11(R),12(R)-DiHET are vicinal diols formedviaenzymatic hydration of 11(12)-EET by cytosolic or soluble epoxide hydrolases in a non-stereoselective manner.1,2,3(±)11(12)-DiHET MaxSpec standard is a quantitative grade standard of (±)11(12)-DiHET that has been prepared specifically for mass spectrometry and related applications where quantitative reproducibility is required. The solution has been prepared gravimetrically and is supplied in a de...
T37344	5,6-dimethyl-2-Thiouracil
	5,6-dimethyl-2-Thiouracil is a heterocyclic building block that has been used in the synthesis of anti-HIV-1 pyrimidinones.1 It has also been used as an internal standard for the quantification of thyreostats, including 2-thiouracil, in bovine plasma.2 \|1. Navrotskii, M.B. Synthesis and anti-HIV-1 activity of new 2-[(2-phthalimidoethyl)thio]-4(3H)-pyrimidinone derivatives. Pharm. Chem. J. 39(9), 466-467 (2005).\|2. Schmidt, K.S. In-house validation and factorial effect analysis of a liquid chroma...
T37403	O-desmethyl Brinzolamide (hydrochloride)
	O-desmethyl Brinzolamide is an active metabolite of the carbonic anhydrase (CA) inhibitor brinzolamide .1,2It inhibits CAII and CAIV (IC50s = 0.136 and 165 nM, respectively).1 1.Huang, Q., Rui, E.Y., Cobbs, M., et al.Design, synthesis, and evaluation of NO-donor containing carbonic anhydrase inhibitors to lower intraocular pressureJ. Med. Chem.58(6)2821-2833(2015) 2.Lo Faro, A.F., Tini, A., Gottardi, M., et al.Development and validation of a fast ultra-high-performance liquid chromatography tand...
T35665	Pregnanetriol
	Pregnanetriol is a metabolite of 17α-hydroxyprogesterone .1,2It is formed from 17α-hydroxyprogesterone by reduction of the C-20 ketone.2Urinary levels of pregnanetriol are elevated in patients with 21-hydroxylase deficiency and congenital adrenal hyperplasia.3,4 1.Kamrath, C., Hartmann, M.F., Boettcher, C., et al.Diagnosis of 21-hydroxylase deficiency by urinary metabolite ratios using gas chromatography-mass spectrometry analysis: Reference values for neonates and infantsJ. Steroid Biochem. Mol...
T38128	Leukotriene D4 Leukotriene D4 MaxSpec® Standard,LTD4
	Leukotriene D4 (LTD4) is one of the constituents of slow-reacting substance of anaphylaxis (SRS-A) produced by the metabolism of LTC4 by γ-glutamyl transpeptidase. It is the first cysteinyl-leukotriene metabolite of LTC4 . Like LTC4, LTD4-induced bronchoconstriction and enhanced vascular permeability contribute to the pathogenesis of asthma and acute hypersensitivity. LTD4 is equipotent to LTC4 in its biological activities, except that LTD4 is nearly 100-fold more effective in the contraction of...
T35718	N-desmethyl Rosuvastatin (sodium salt hydrate)
	N-desmethyl Rosuvastatin is an active metabolite of the HMG-CoA reductase inhibitor rosuvastatin .1,2N-desmethyl Rosuvastatin is formed when rosuvastatin undergoes demethylation, primarily by the cytochrome P450 (CYP) isoform CYP2C9 and to a lesser extent by CYP2C19 and CYP3A4.1 1.Macwan, J.S., Ionita, I.A., and Akhlaghi, F.A simple assay for the simultaneous determination of rosuvastatin acid, rosuvastatin-5S-lactone, and N-desmethyl rosuvastatin in human plasma using liquid chromatography-tand...
T35504	(±)10-HDHA
	(±)10-HDHA is an autoxidation product of docosahexaenoic acid (DHA) in vitro.[1][2] It is also produced from incubations of DHA in rat liver, brain, and intestinal microsomes.[3][4][5] (±)10-HDHA is a potential marker of oxidative stress in brain and retina where DHA is an abundant polyunsaturated fatty acid. Reference：[1]. VanRollins, M., and Murphy, R.C. Autooxidation of docosahexaenoic acid: Analysis of ten isomers of hydroxydocosahexaenoate. J. Lipid Res. 25(5), 507-517 (1984).[2]. Reynaud, ...
T37736	N-cis-hexadec-9Z-enoyl-L-Homoserine lactone N-(2-oxotetrahydrofuran-3S-yl) Palmitoleyl Amide,N-cis-hexadec-9Z-enoyl-L-Homoserine lactone
	Quorum sensing is a regulatory process used by bacteria for controlling gene expression in response to increasing cell density.[1] This regulatory process manifests itself with a variety of phenotypes including biofilm formation and virulence factor production.[2] Coordinated gene expression is achieved by the production, release, and detection of small diffusible signal molecules called autoinducers. The N-acylated homoserine lactones (AHLs) comprise one such class of autoinducers, each of whic...
T37741	N-hexadecanoyl-L-Homoserine lactone C16-HSL,N-palmitoyl-L-Homoserine,N-hexadecanoyl-L-Homoserine lactone
	Quorum sensing is a regulatory system used by bacteria for controlling gene expression in response to increasing cell density.[1] This regulatory process manifests itself with a variety of phenotypes including biofilm formation and virulence factor production.[2] Coordinated gene expression is achieved by the production, release, and detection of small diffusible signal molecules called autoinducers. The N-acylated homoserine lactones (AHLs) comprise one such class of autoinducers, each of which...

化合物

Cat.No: T19658

Synonym: NSC115944,Ethrane,NSC-115944,恩氟烷,Efrane,NSC 115944

Target: Others

α-Cyano-4-hydroxycinnamic acid

Cat.No: T7460

Synonym: α-Cyano-4-hydroxycinnamic acid(α-CHCA),2-氰基-4-羟基

Target: Monocarboxylate transporter

Hydroxy Dimetridazole

Cat.No: T37514

Target: Drug Metabolite

Cat.No: T33789

Synonym: N-Oleoyl-l-proline

4-APC hydrobromide

Cat.No: T38466

N,N'-Carbonyldiimidazole

Cat.No: T19945

Synonym: 1,1'-Carbonyldiimidazole,N,N'-Carbonyldiimidazole,CDI Crosslinker

Target: Others

Cat.No: T37658

Cat.No: T38012

Glutarylcarnitine lithium

Cat.No: T73752

Cat.No: T76232

Tolmetin β-D-Glucuronide

Cat.No: T36128

Cat.No: T13904

Synonym: Stearoyl lysophosphatidylethanolamine

Target: Others

Cholesteryl Heptadecanoate

Cat.No: T36731

Cat.No: T36223

Dichloroiodomethane

Cat.No: T37311

3,4-Dehydro Cilostazol

Cat.No: T38135

N-3-hydroxydecanoyl-DL-Homoserine lactone

Cat.No: T36989

(±)11(12)-DiHET MaxSpec® Standard

Cat.No: T37333

5,6-dimethyl-2-Thiouracil

Cat.No: T37344

O-desmethyl Brinzolamide (hydrochloride)

Cat.No: T37403

Cat.No: T35665

Cat.No: T38128

Synonym: Leukotriene D4 MaxSpec® Standard,LTD4

N-desmethyl Rosuvastatin (sodium salt hydrate)

Cat.No: T35718

Cat.No: T35504

N-cis-hexadec-9Z-enoyl-L-Homoserine lactone

Cat.No: T37736

Synonym: N-(2-oxotetrahydrofuran-3S-yl) Palmitoleyl Amide,N-cis-hexadec-9Z-enoyl-L-Homoserine lactone

N-hexadecanoyl-L-Homoserine lactone

Cat.No: T37741

Synonym: C16-HSL,N-palmitoyl-L-Homoserine,N-hexadecanoyl-L-Homoserine lactone

Cat. No.	Product Name	Target	Signaling Pathways
T2S0265	Robinin NSC 9222,刺槐素	TLR	Immunology/Inflammation
	Flavone glycoside from Robinia with antibacterial and diuretic properties; derived from kaempferol.The ability of robinin to reverse the multidrug resistance of the human colon cancer cell line Colo 320 expreβing MDR1/LRP was explored by monitoring their uptake of Rhodamine 123, but was shown to have minimal effect. Robinin (NSC-9222) was detected in lysates of the human breast cancer cell line MCF-7 using liquid chromatography-tandem maβ spectrometry.
T19340	Glutarylcarnitine O-glutaroyl-L-carnitine	Endogenous Metabolite	Metabolism
	Glutarylcarnitine (O-glutaroyl-L-carnitine) 是大多数串联质谱新生儿筛查计划中监测的丙二酸尿症和谷草酸尿症 I 型的诊断代谢物。
T4816	6-Hydroxynicotinic acid 6-Hydroxypyridine-3-carboxylic acid,6-羟基烟酸,2-Hydroxy-5-pyridinecarboxylic acid	Others; Endogenous Metabolite	Metabolism; Others
	6-Hydroxynicotinic acid (6-Hydroxypyridine-3-carboxylic acid) 用于核磁共振波谱或气相色谱-质谱法诊断尿路感染中的铜绿假单胞菌。在引起尿液感染的常见细菌中，只有铜绿假单胞菌从烟酸中产生6-羟基烟酸。
T19236	Cholesteryl behenate Cholesteryl docosanoate,Cholesterol behenate,胆固醇山萮酸酯	Others	Others
	Cholesteryl behenate is a standard in electrospray ionization tandem mass spectrometry for the analysis of cholesteryl esters and cholesterol.
T25634	Lasiocarpine N-oxide 4-21-00-02054 (Beilstein Handbook Reference)
	Lasiocarpine N-oxide is a natural compound found to be higher in many tea bags, herbal drugs and honey by mass spectrometry.
T37770	Taurohyodeoxycholic acid
	Taurohyodeoxycholic acid (THDCA) is a taurine-conjugated form of the secondary bile acid hyodeoxycholic acid .1THDCA decreases the size and weight of human gallstonesin vitro. It increases bile flow, biliary cholesterol secretion, and biliary lipid secretion in rats.2Co-administration of THDCA with taurochenodeoxycholic acid prevents TCDCA-induced hepatotoxicity, increasing bile flow as well as biliary acid and phospholipid secretion in rats.3THDCA also reduces myeloperoxidase activity, expressi...

天然产物

Cat.No: T2S0265

Synonym: NSC 9222,刺槐素

Target: TLR

Glutarylcarnitine

Cat.No: T19340

Synonym: O-glutaroyl-L-carnitine

Target: Endogenous Metabolite

6-Hydroxynicotinic acid

Cat.No: T4816

Synonym: 6-Hydroxypyridine-3-carboxylic acid,6-羟基烟酸,2-Hydroxy-5-pyridinecarboxylic acid

Target: Others, Endogenous Metabolite

Cholesteryl behenate

Cat.No: T19236

Synonym: Cholesteryl docosanoate,Cholesterol behenate,胆固醇山萮酸酯

Target: Others

Lasiocarpine N-oxide

Cat.No: T25634

Synonym: 4-21-00-02054 (Beilstein Handbook Reference)

Taurohyodeoxycholic acid

Cat.No: T37770

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