Roxatidine-d10 (hemioxalate)
目录号 : GC49135
An internal standard for the quantification of roxatidine
Cas No.:2832423-41-1
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
Roxatidine-d10 is intended for use as an internal standard for the quantification of roxatidine by GC- or LC-MS. Roxatidine is a histamine H2 receptor antagonist and major active metabolite of roxatidine acetate .1 Roxatidine reduces histamine-induced adenylate cyclase production in guinea pig parietal cells (IC50 = 0.8 µM). It inhibits histamine-induced hydrogen ion accumulation in the same cells (pA2 = 7.03). Roxatidine (200 mg/kg) reduces small intestinal lesion area in a rat model of gastric mucosal injury induced by indomethacin .2
1.Sewing, K.-F., Beil, W., and Hannemann, H.Comparative pharmacology of histamine H2-receptor antagonistsDrugs35(Suppl. 3)25-29(1988) 2.Umegaki, E., Yoda, Y., Tokioka, S., et al.Protective effect of roxatidine against indomethacininduced small intestinal mucosal injury in ratsJ. Gastroenterol. Hepatol.25(Suppl. 1)S35-S40(2010)
| Cas No. | 2832423-41-1 | SDF | |
| Canonical SMILES | OCC(NCCCOC1=CC=CC(CN2C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])=C1)=O.OC(C(O)=O)=O | ||
| 分子式 | C17H16D10N2O3·1/2C2H2O4 | 分子量 | 361.5 |
| 溶解度 | DMSO: soluble,Water: soluble | 储存条件 | -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 | 2.7663 mL | 13.8313 mL | 27.6625 mL |
| 5 mM | 0.5533 mL | 2.7663 mL | 5.5325 mL |
| 10 mM | 0.2766 mL | 1.3831 mL | 2.7663 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。
Multicomponent crystals of erlotinib
Acta Crystallogr C 2010 Jan;66(Pt 1):o33-8.PMID:20048421DOI:10.1107/S0108270109052470.
Erlotinib [systematic name: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine], a small-molecule epidermal growth factor receptor inhibitor, useful for the treatment of non-small-cell lung cancer, has been crystallized as erlotinib monohydrate, C(22)H(23)N(3)O(4).H(2)O, (I), the erlotinib hemioxalate salt [systematic name: 4-amino-N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-1-ium hemioxalate], C(22)H(24)N(3)O(4)(+).0.5C(2)O(4)(2-), (II), and the cocrystal erlotinib fumaric acid hemisolvate dihydrate, C(22)H(23)N(3)O(4).0.5C(4)H(4)O(4).2H(2)O, (III). In (II) and (III), the oxalate anion and the fumaric acid molecule are located across inversion centres. The water molecules in (I) and (III) play an active role in hydrogen-bonding interactions which lead to the formation of tetrameric and hexameric hydrogen-bonded networks, while in (II) the cations and anions form a tetrameric hydrogen-bonded network in the crystal packing. The title multicomponent crystals of erlotinib have been elucidated to study the assembly of molecules through intermolecular interactions, such as hydrogen bonds and aromatic pi-pi stacking.
New solvates and a salt of the anti-HIV compound etravirine
Acta Crystallogr C Struct Chem 2021 Nov 1;77(Pt 11):698-706.PMID:34738540DOI:10.1107/S2053229621010482.
Four new solvates of the anti-HIV compound etravirine [systematic name: 4-({6-amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile, C20H15BrN6O] with dimethyl sulfoxide (C2H6OS, two distinct monosolvates), 1,4-dioxane (C4H8O2, the 0.75-solvate) and N,N-dimethylacetamide (C4H9NO, the monosolvate), which exhibit conversion to the same anhydrous etravirine phase upon desolvation, and a stable etravirinium oxalate salt {6-amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-1-ium hemioxalate, C20H16BrN6O+·0.5C2O42-} were obtained. The crystal structures were solved by single-crystal X-ray diffraction and analyzed by powder X-ray diffraction, and the intermolecular interactions were explored by Hirshfeld surface analysis. Lattice energies were evaluated using the atom-atom force field Coulomb-London-Pauli (AA CLP) approximation, which distributes the total energy as four separate contributions: Coulombic, polarization, dispersion and repulsion. The formation of the solvates and the oxalate salt was further characterized by thermal analysis and IR spectroscopy.
N-[2-(2-Chloro-phen-yl)-2-hydroxy-ethyl]propan-2-aminium hemioxalate
Acta Crystallogr Sect E Struct Rep Online 2009 Jun 24;65(Pt 7):o1670.PMID:21582930DOI:10.1107/S1600536809022740.
The asymmetric unit of the title compound, C(11)H(17)ClNO(+)·0.5C(2)O(4) (2-), consists of one N-[2-(2-chloro-phen-yl)-2-hydroxy-ethyl]propan-2-ammonium cation and one-half of a centrosymmetric oxalate anion. In the cation, the C/C/N plane of the ethyl-ammonium group is almost perpendicular to the benzene ring, with a dihedral angle of 88.72 (17)°. In the crystal structure, the two components are connected by O-H⋯O and N-H⋯O hydrogen bonds, forming a supra-molecular tape along the a axis. Between the tapes, a C-H⋯O inter-action is observed.
3-Carboxy-anilinium hemioxalate
Acta Crystallogr Sect E Struct Rep Online 2009 Jul 11;65(Pt 8):o1839-40.PMID:21583540DOI:10.1107/S1600536809026427.
In the title compound, C(7)H(8)NO(2) (+)·0.5C(2)O(4) (2-), the asymmetric unit consists of an 3-carboxy-anilinium cation, and one-half of an oxalate anion, which lies on a twofold rotation axis. The crystal packing is consolidated by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds. The structure is built from infinite chains of cations and oxalate anions extending parallel to the b and c axes. The crystal studied was a non-merohedral twin. The ratio of the twin components refined to 0.335 (3):0.665 (3).
Fragment Coupling with Tertiary Radicals Generated by Visible-Light Photocatalysis
Acc Chem Res 2016 Aug 16;49(8):1578-86.PMID:27491019DOI:10.1021/acs.accounts.6b00284.
Convergent synthesis strategies in which a target molecule is prepared by a branched approach wherein two or more complex fragments are combined at a late stage are almost always preferred over a linear approach in which the overall yield of the target molecule is eroded by the efficiency of each successive step in the sequence. As a result, bimolecular reactions that are able to combine complex fragments in good yield and, where important, with high stereocontrol are essential for implementing convergent synthetic strategies. Although intramolecular reactions of carbon radicals have long been exploited to assemble polycyclic ring systems, bimolecular coupling reactions of structurally complex carbon radicals have rarely been employed to combine elaborate fragments in the synthesis of structurally intricate molecules. We highlight in this Account recent discoveries from our laboratories that demonstrate that bimolecular reactions of structurally elaborate tertiary carbon radicals and electron-deficient alkenes can unite complex fragments in high yield using nearly equimolar amounts of the two coupling partners. Our discussion begins by considering several aspects of the bimolecular addition of tertiary carbon radicals to electron-deficient alkenes that commend these transformations for the union of structurally complex, sterically bulky fragments. We then discuss how in the context of synthesizing rearranged spongian diterpenoids we became aware of the exceptional utility of coupling reactions of alkenes and tertiary carbon radicals to unite structurally complex synthetic intermediates. Our initial investigations exploit the early report of Okada that N-(acyloxy)phthalimides reductively fragment at room temperature in the presence of visible light and catalytic amounts of the photocatalyst Ru(bpy)3Cl2 to form carbon radicals that react with alkenes. We show that this reaction of a tertiary radical precursor and an enone can combine two elaborate enantioenriched fragments in good yield with the formation of new quaternary and secondary stereocenters. As a result of the ready availability of tertiary alcohols, we describe two methods that were developed, one in collaboration with the MacMillan group, to generate tertiary radicals from tertiary alcohols. In the method that will be preferred in most instances, the tertiary alcohol is esterified in high yield to give a tert-alkyl hemioxalate salt, which-without purification-reacts with electron-deficient alkenes in the presence of visible light and an Ir(III) photocatalyst to give coupled products having a newly formed quaternary carbon in high yield. hemioxalate salts containing Li, Na, K, and Cs countercations can be employed in this reaction, whose only other product is CO2. These reactions are carried out using nearly equimolar amounts of the addends, making them ideal for coupling of complex fragments at the late stage in a synthetic sequence. The attractive attributes of the fragment-coupling chemistry that we discuss in this Account are illustrated by an enantioselective total synthesis of a tricyclic trans-clerodane diterpenoid in eight steps and 34% overall yield from commercially available precursors. We anticipate that bimolecular reactions of carbon radicals will be increasingly used for fragment coupling in the future.