Vilanterol-d4 (triphenylacetate)
(Synonyms: 维兰特罗杂质22,GW642444-d4 trifenatate) 目录号 : GC48249
An internal standard for the quantification of vilanterol
Cas No.:2021249-10-3
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >99.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
Vilanterol-d4 is intended for use as an internal standard for the quantification of vilanterol by GC- or LC-MS. Vilanterol is an ultra-long acting β2-adrenoceptor agonist (ultra-LABA) that has 1,000-fold selectivity for β2-over other β-receptors (EC50s = 398, 0.39, and 794 nM for β1, β2, and β3, respectively).1,2 In addition to its potency and selectivity, vilanterol is characterized by rapid onset of activity and prolonged duration of action.1,3
1.Cazzola, M., Calzetta, L., and Matera, M.G.β2-adrenoceptor agonists: Current and future directionBr. J. Pharmacol.163(1)4-17(2011) 2.Mach, R.H., Nader, M.A., Ehrenkaufer, R.L., et al.Comparison of two fluorine-18 labeled benzamide derivatives that bind reversibly to dopamine D2 receptors: In vitro binding studies and positron emission tomographySynapse24(4)322-333(1996) 3.Procopiou, P.A., Barrett, V.J., Bevan, N.J., et al.Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating metabolic inactivation: An antedrug approachJ. Med. Chem.53(11)4522-4530(2010)
| Cas No. | 2021249-10-3 | SDF | |
| 别名 | 维兰特罗杂质22,GW642444-d4 trifenatate | ||
| Canonical SMILES | ClC1=C(COC([2H])([2H])C([2H])([2H])OCCCCCCNC[C@H](O)C2=CC(CO)=C(O)C=C2)C(Cl)=CC=C1.O=C(O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5 | ||
| 分子式 | C24H29Cl2D4NO5.C20H16O2 | 分子量 | 778.8 |
| 溶解度 | DMF: soluble,DMSO: soluble,Methanol: soluble | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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1 mg | 5 mg | 10 mg |
| 1 mM | 1.284 mL | 6.4201 mL | 12.8403 mL |
| 5 mM | 0.2568 mL | 1.284 mL | 2.5681 mL |
| 10 mM | 0.1284 mL | 0.642 mL | 1.284 mL |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。
Triptycene-based Bis(benzimidazole) Carboxylate-Bridged Biomimetic Diiron(II) Complexes
Eur J Inorg Chem 2013 Apr 1;2013(12):2011-2019.PMID:23585728DOI:10.1002/ejic.201201387.
A triptycene-based bis(benzimidazole) ester ligand, L3, was designed to enhance the electron donating ability of the heterocyclic nitrogen atoms relative to those of the first generation bis(benzoxazole) analogs, L1 and L2. A convergent synthesis of L3 was designed and executed. Three-component titration experiments using UV-visible spectroscopy revealed that the desired diiron(II) complex could be obtained with a 1:2:1 ratio of L3:Fe(OTf)2(MeCN)2:external carboxylate reactants. X-ray crystallographic studies of two diiron complexes derived in this manner from L3 revealed their formulas to be [Fe2L3(μ-OH)(μ-O2CR)(OTf)2], where R = 2,6-bis(p-tolyl)benzoate (7) or triphenylacetate (8). The structures are similar to that of a diiron complex derived from L1, [Fe2L1(μ-OH)(μ-O2CArTol)(OTf)2] (9) with a notable difference being that, in 7 and 8, the geometry at iron more closely resembles square-pyramidal than trigonal-bipyramidal. Mössbauer spectroscopic analyses of 7 and 8 indicate the presence of high-spin diiron(II) cores. These results demonstrate the importance of substituting benzimidazole for benzoxazole for assembling biomimetic diiron complexes with syn disposition of two N-donor ligands, as found in O2-activating carboxylate-bridged diiron centers in biology.
Rh(2)(S-PTTL)(3)TPA-A Mixed Ligand Dirhodium(II) Catalyst for Enantioselective Reactions of α-Alkyl-α-Diazoesters
Chem Sci 2012 May;3(5):1589-1593.PMID:23125912DOI:10.1039/C2SC01134D.
Herein we report the synthesis of the mixed ligand paddlewheel complex dirhodium(II) tris[N-phthaloyl-(S)-tert-leucinate] triphenylacetate, Rh(2)(S-PTTL)(3)TPA, the structure of which bears similarity to the chiral crown complex Rh(2)(S-PTTL)(4). Rh(2)(S-PTTL)(3)TPA engages substrate classes (aliphatic alkynes, silylacetylenes, α-olefins) that are especially challenging in intermolecular reactions of α-alkyl-α-diazoesters, and catalyzes enantioselective cyclopropanation, cyclopropenation, and indole C-H functionalization with yields and enantioselectivities that are comparable or superior to Rh(2)(S-PTTL)(4). Mixing ligands on paddlewheel complexes offers a versatile handle for diversifying catalyst structure and reactivity. The results described herein illustrate how mixed ligand catalysts can create new opportunities for the optimization of catalytic asymmetric processes.
Di- and triphenylacetate complexes of yttrium and europium
Acta Crystallogr C Struct Chem 2016 Jul 1;72(Pt 7):578-84.PMID:27377281DOI:10.1107/S2053229616009748.
The significant variety in the crystal structures of rare-earth carboxylate complexes is due to both the large coordination numbers of the rare-earth cations and the ability of the carboxylate anions to form several types of bridges between rare-earth metal atoms. Therefore, these complexes are represented by mono-, di- and polynuclear complexes, and by coordination polymers. The interaction of LnCl3(thf)x (Ln = Eu or Y; thf is tetrahydrofuran) with sodium or diethylammonium diphenylacetate in methanol followed by recrystallization from a DME/THF/hexane solvent mixture (DME is 1,2-dimethoxyethane) leads to crystals of the non-isomorphic dinuclear complexes tetrakis(μ-2,2-diphenylacetato)-κ(4)O:O';κ(3)O,O':O';κ(3)O:O,O'-bis[(1,2-dimethoxyethane-κ(2)O,O')(2,2-diphenylacetato-κ(2)O,O')europium(III)], [Eu(C14H11O2)6(C4H10O2)2], (I), and tetrakis(μ-2,2-diphenylacetato)-κ(4)O:O';κ(3)O,O':O';κ(3)O:O,O'-bis[(1,2-dimethoxyethane-κ(2)O,O')(2,2-diphenylacetato-κ(2)O,O')yttrium(III)], [Y(C14H11O2)6(C4H10O2)2], (II), possessing monoclinic (P21/c) symmetry. The [Ln(Ph2CHCOO)3(dme)]2 molecule (Ln = Eu or Y) lies on an inversion centre and exhibits three different coordination modes of the diphenylacetate ligands, namely bidentate κ(2)O,O'-terminal, bidentate μ2-κ(1)O:κ(1)O'-bridging and tridentate μ2-κ(1)O:κ(2)O,O'-semibridging. The terminal and bridging ligands in (I) are disordered over two positions, with an occupancy ratio of 0.806 (2):0.194 (2). The interaction of EuCl3(thf)2 with Na[Ph3CCOO] in methanol followed by crystallization from hot methanol produces crystals of tetrakis(methanol-κO)tris(2,2,2-triphenylacetato)-κ(4)O:O';κO-europium(III) methanol disolvate, [Eu(C19H15O2)3(CH3OH)4]·2CH3OH, (III)·2MeOH, with triclinic (P-1) symmetry. The molecule of (III) contains two O,O'-bidentate and one O-monodentate terminal triphenylacetate ligand. (III)·2MeOH possesses one intramolecular and four intermolecular hydrogen bonds, forming a [(III)·2MeOH]2 dimer with two bridging methanol molecules.
Expanding the family of heterobimetallic Bi-Rh paddlewheel carboxylate complexes via equatorial carboxylate exchange
Dalton Trans 2016 Jan 7;45(1):50-5.PMID:26599620DOI:10.1039/c5dt03740a.
Five novel homoleptic heterobimetallic bismuth(II)-rhodium(II) carboxylate complexes--BiRh(TPA)4 (1), BiRh(but)4 (2), BiRh(piv)4 (3), BiRh(esp)2 (4), and BiRh(OAc)4 (5)--were synthesized in good yields by equatorial ligand substitution starting from BiRh(TFA)4 (TPA = triphenylacetate, but = butyrate, piv = pivalate, esp = α,α,α',α'-tetramethyl-1,3-benzenedipropionate, OAc = acetate, and TFA = trifluoroacetate). We report here (1)H and (13)C{(1)H} NMR spectra and cyclic voltammograms for complexes , and IR spectra for all complexes. Irreversible redox waves appear between -1.4 to -1.5 V for [BiRh](3+/4+) couples and 1.3 to 1.5 V vs. Fc/Fc(+) for [BiRh](4+/5+) couples for complexes indicating a wide range of stability for the compounds. The X-ray crystal structure of reveals a Bi-Rh distance of 2.53 Å.
Non-heme μ-Oxo- and bis(μ-carboxylato)-bridged diiron(iii) complexes of a 3N ligand as catalysts for alkane hydroxylation: stereoelectronic factors of carboxylate bridges determine the catalytic efficiency
Dalton Trans 2016 Jul 28;45(28):11422-36.PMID:27336757DOI:10.1039/c6dt01059h.
A series of non-heme (μ-oxo)bis(μ-dicarboxylato)-bridged diiron(iii) complexes, [Fe2(O)(OOCH)2(L)2](2+)1, [Fe2(O)(OAc)2(L)2](2+)2, [Fe2(O)(Me3AcO)2(L)2](2+)3, [Fe2(O)(OBz)2(L)2](2+)4, [Fe2(O)(Ph2AcO)2(L)2](2+)5 and [Fe2(O)(Ph3AcO)3(L)2](2+)6, where L = N,N-dimethyl-N'-(pyrid-2-ylmethyl)ethylenediamine, OAc(-) = acetate, Me3AcO(-) = trimethylacetate, OBz(-) = benzoate, Ph2AcO(-) = diphenylacetate and Ph3AcO(-) = triphenylacetate, have been isolated and characterized using elemental analysis and spectral and electrochemical techniques. They have been studied as catalysts for the selective oxidation of alkanes using m-chloroperbenzoic acid (m-CPBA) as the oxidant. Complexes 2, 3, and 4 possess a distorted bioctahedral geometry in which each iron atom is coordinated to an oxygen atom of the μ-oxo bridge, two oxygen atoms of the μ-carboxylate bridge and three nitrogen atoms of the 3N ligand. In an acetonitrile/dichloromethane solvent mixture all the complexes display a d-d band characteristic of the triply bridged diiron(iii) core, revealing that they retain their identity in solution. Upon replacing electron-donating substituents on the bridging carboxylates by electron-withdrawing ones the E1/2 value of the one-electron Fe(III)Fe(III)→ Fe(III)Fe(II) reduction becomes less negative. On adding one equivalent of Et3N to a mixture of one equivalent of the complex and an excess of m-CPBA in the acetonitrile/dichloromethane solvent mixture an intense absorption band (λmax, 680-720 nm) appears, which corresponds to the formation of a mixture of complex species. All the complexes act as efficient catalysts for the hydroxylation of cyclohexane with 380-500 total turnover numbers and good alcohol selectivity (A/K, 6.0-10.1). Adamantane is selectively oxidized to 1-adamantanol and 2-adamantanol (3°/2°, 12.9-17.1) along with a small amount of 2-adamantanone (total TON, 381-476), and interestingly, the sterically demanding trimethylacetate bridge around the diiron(iii) centre leads to high 3°/2° bond selectivity; on the other hand, the sterically demanding triphenylacetate bridge gives a lower 3°/2° bond selectivity. A remarkable linear correlation between the pKa of the bridging carboxylate and TON for both cyclohexane and adamantane oxidation is observed, illustrating the highest catalytic activity for 3 with strongly electron-releasing trimethylacetate bridges.