AP1867-2-(carboxymethoxy)
(Synonyms: PROTAC FKBP12-binding moiety 2) 目录号 : GC61745
AP1867-2-(carboxymethoxy)是一种基于AP1867(一种合成的FKBP12F36V配体)的配体，可通过linker与CRBN配体结合从而形成dTAG分子。
Cas No.:2230613-03-1
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
AP1867-2-(carboxymethoxy), the AP1867 (a synthetic FKBP12F36V-directed ligand) based moiety, binds to CRBN ligand via a linker to form dTAG molecules[1].
dTAG molecules engage FKBP12F36V and CRBN[1].
[1]. Nabet B, et al. The dTAG system for immediate and target-specific protein degradation. Nat Chem Biol. 2018 May;14(5):431-441.
| Cas No. | 2230613-03-1 | SDF | |
| 别名 | PROTAC FKBP12-binding moiety 2 | ||
| Canonical SMILES | O=C([C@H]1N(C([C@H](C2=CC(OC)=C(OC)C(OC)=C2)CC)=O)CCCC1)O[C@@H](C3=CC=CC=C3OCC(O)=O)CCC4=CC=C(OC)C(OC)=C4 | ||
| 分子式 | C38H47NO11 | 分子量 | 693.78 |
| 溶解度 | 储存条件 | 4°C, protect from light | |
| 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 | 1.4414 mL | 7.2069 mL | 14.4138 mL |
| 5 mM | 0.2883 mL | 1.4414 mL | 2.8828 mL |
| 10 mM | 0.1441 mL | 0.7207 mL | 1.4414 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。
Coordination polymers and hydrogen-bonded assemblies of 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid with ammonium, lanthanum and zinc cations
Acta Crystallogr C 2010 Sep;66(Pt 9):m238-44.PMID:20814094DOI:10.1107/S0108270110031318.
We report the synthesis of the 2,2'-[2,5-bis(carboxymethoxy)-1,4-phenylene]diacetic acid (TALH(4)) ligand and the structures of its adducts with ammonium, namely diammonium 2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetate, 2NH(4)(+).C(14)H(12)O(10)(2-), (I), lanthanum, namely poly[[aquabis[mu(4)-2,2'-(2-carboxylatomethyl-5-carboxymethyl-1,4-phenylenedioxy)diacetato]dilanthanum(III)] monohydrate], {[La(2)(C(14)H(11)O(10))(2)(H(2)O)].H(2)O}(n), (II), and zinc cations, namely poly[[{mu(4)-2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetato}zinc(II)] trihydrate], {[Zn(C(14)H(12)O(10))].3H(2)O}(n), (III), and poly[[diaqua(mu(2)-4,4'-bipyridyl){mu(4)-2,2'-[2,5-bis(carboxymethyl)-1,4-phenylenedioxy]diacetato}dizinc(II)] dihydrate], {[Zn(2)(C(14)H(10)O(10))(C(10)H(8)N(2))(H(2)O)(2)].2H(2)O}(n), (IV), the formation of all four being associated with deprotonation of TALH(4). Adduct (I) is a diammonium salt of TALH(2)(2-), with the ions located on centres of crystallographic inversion. Its crystal structure reveals a three-dimensional hydrogen-bonded assembly of the component species. Reaction of TALH(4) with lanthanum trinitrate hexahydrate yielded a two-dimensional double-layer coordination polymer, (II), in which the La(III) cations are nine-coordinate. With zinc dinitrate hexahydrate, TALH(4) forms 1:1 two-dimensional coordination polymers, in which every Zn(II) cation is linked to four neighbouring TALH(2)(2-) anions and each unit of the organic ligand is coordinated to four different tetrahedral Zn(II) cation connectors. The crystal structure of this compound accommodates molecules of disordered water at the interface between adjacent polymeric layers to give (III), and it has been determined with low precision. Another polymer assembly, (IV), was obtained when zinc dinitrate hexahydrate was reacted with TALH(4) in the presence of an additional 4,4'-bipyridyl ligand. In the crystal structure of (IV), the bipyridyl and TAL(4-) entities are located on two different inversion centres. The ternary coordination polymers form layered arrays with corrugated surfaces, with the Zn(II) cation connectors revealing a tetrahedral coordination environment. The two-dimensional polymers in (II)-(IV) are interconnected with each other by hydrogen bonds involving the metal-coordinated and noncoordinated molecules of water. TALH(4) is doubly deprotonated, TALH(2)(2-), in (I) and (III), triply deprotonated, viz. TALH(3-), in (II), and quadruply deprotonated, viz. TAL(4-), in (IV). This report provides the first structural characterization of TALH(4) (in deprotonated form) and its various supramolecular adducts. It also confirms the potential utility of this tetraacid ligand in the formulation of coordination polymers with metal cations.
Synthesis and Biological Evaluation of 4'-Substituted Kaempfer-3-ols
J Org Chem 2020 Mar 20;85(6):4279-4288.PMID:32056430DOI:10.1021/acs.joc.9b03461.
The synthesis of two series of five kaempfer-3-ols was described. The first set all have a C-3 hydroxyl group and the second has a carboxymethoxy ether at the C-3 position. Both series have variable substitution at the C-4' position (i.e., OH, Cl, F, H, OMe). Both kaempferols and carboxymethoxy ethers were evaluated for their ability to inhibit ribosomal s6 kinase (RSK) activity and cancer cell proliferation.
Diastereoselective Synthesis and Two-Step Photocleavage of Ruthenium Polypyridyl Complexes Bearing a Bis(thioether) Ligand
Inorg Chem 2019 Sep 3;58(17):11689-11698.PMID:31433170DOI:10.1021/acs.inorgchem.9b01669.
Thioethers are good ligands for photoactivatable ruthenium(II) polypyridyl complexes, as they form thermally stable complexes that are prone to ligand photosubstitution. Here, we introduce a novel symmetric chelating bis(thioether) ligand scaffold, based on 1,3-bis(methylthio)-2-propanol (4) and report the synthesis and stereochemical characterization of the series of novel ruthenium(II) polypyridyl complexes [Ru(bpy)2(L)](PF6)2 ([1]-[3](PF6)2), where L is ligand 4, its methyl ether, 1,3-bis(methylthio)-2-methoxypropane (5), or its carboxymethyl ether, 1,3-bis(methylthio)-2-(carboxymethoxy)propane (6). Coordination of ligands 4-6 to the bis(bipyridine)ruthenium center gives rise to 16 possible isomers, consisting of 8 possible Λ diastereoisomers and their Δ enantiomers. We found that the synthesis of [1]-[3](PF6)2 is diastereoselective, yielding a racemic mixture of the Λ-(S)-eq-(S)-ax-OHeq-[Ru]2+ and Δ-(R)-ax-(R)-eq-OHeq-[Ru]2+ isomers. Upon irradiation with blue light in water, [1]-[3](PF6)2 selectively substitute their bis(thioether) ligands for water molecules in a two-step photoreaction, ultimately producing [Ru(bpy)2(H2O)2]2+ as the photoproduct. The relatively stable photochemical intermediate was identified as cis-[Ru(bpy)2(κ1-L)(H2O)]2+ by mass spectrometry. Global fitting of the time evolution of the UV-vis absorption spectra of [1]-[3](PF6)2 was employed to derive the photosubstitution quantum yields (Φ443) for each of the two photochemical reaction steps separately, revealing very high quantum yields of 0.16-0.25 for the first step and lower values (0.0055-0.0093) for the second step of the photoreaction. The selective and efficient photochemical reaction makes the photocleavable bis(thioether) ligand scaffold reported here a promising candidate for use in e.g. ruthenium-based photo-activated chemotherapy.
Exploring the structural landscape of 2-(thiophen-2-yl)-1,3-benzothiazole: high-Z' packing polymorphism and cocrystallization with calix[4]tube
Acta Crystallogr C Struct Chem 2019 Jun 1;75(Pt 6):667-677.PMID:31166918DOI:10.1107/S2053229619005886.
We report here for the first time a cocrystal of the so-called neutral calix[4]tube, which is two tail-to-tail-arranged and partially deprotonated tetrakis(carboxymethoxy)calix[4]arenes, including three sodium ions, with 2-(thiophen-2-yl)-1,3-benzothiazole, namely trisodium bis(carboxymethoxy)bis(carboxylatomethoxy)calix[4]arene tris(carboxymethoxy)(carboxylatomethoxy)calix[4]arene-2-(thiophen-2-yl)-1,3-benzothiazole-dimethyl sulfoxide-water (1/1/2/2), 3Na+·C36H30O122-·C36H31O12-·C11H7NS2·2C2H6OS·2H2O, which provides a new approach into the host-guest chemistry of inclusion complexes. Three packing polymorphs of the same benzothiazole with high Z' (one with Z' = 8 and two with Z' = 4) were also discovered in the course of our desired cocrystallization. The inspection of these polymorphs and a previously known polymorph with Z' = 2 revealed that Z' increases as the strength of intermolecular contacts decreases. Also, these results expand the frontier of invoking calixarenes as a host for nonsolvent small molecules, besides providing knowledge on the rare formation of high-Z' packing polymorphs of simple molecules, such as the target benzothiazole.
Structure-Activity Relationship of Antischistosomal Ozonide Carboxylic Acids
J Med Chem 2020 Apr 9;63(7):3723-3736.PMID:32134263DOI:10.1021/acs.jmedchem.0c00069.
Semisynthetic artemisinins and other bioactive peroxides are best known for their powerful antimalarial activities, and they also show substantial activity against schistosomes-another hemoglobin-degrading pathogen. Building on this discovery, we now describe the initial structure-activity relationship (SAR) of antischistosomal ozonide carboxylic acids OZ418 (2) and OZ165 (3). Irrespective of lipophilicity, these ozonide weak acids have relatively low aqueous solubilities and high protein binding values. Ozonides with para-substituted carboxymethoxy and N-benzylglycine substituents had high antischistosomal efficacies. It was possible to increase solubility, decrease protein binding, and maintain the high antischistosomal activity in mice infected with juvenile and adult Schistosoma mansoni by incorporating a weak base functional group in these compounds. In some cases, adding polar functional groups and heteroatoms to the spiroadamantane substructure increased the solubility and metabolic stability, but in all cases decreased the antischistosomal activity.