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奥利万星二磷酸盐

  • CAS编号: 192564-14-0
  • 分子式: C86H103Cl3N10O34P2
  • 分子量: 1989.09
  • PubChem编号: 16136912
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货号 (SKU) 包装规格 是否现货 价格 数量
O612552-1mg
1mg 现货 Stock Image
O612552-5mg
5mg 现货 Stock Image
O612552-10mg
10mg 现货 Stock Image
O612552-25mg
25mg 现货 Stock Image
O612552-50mg
50mg 现货 Stock Image
O612552-100mg
100mg 现货 Stock Image

基本描述

别名 奥利万星
英文别名 CHEBI:82699 | Chlorobiphenyl-chloroeremomycin | Q7102878 | LY 333328 | UNII-PUG62FRZ2E | (4'R)-22-O-(3-Amino-2,3,6-trideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl)-N(sup 3)' -(p-(p-chlorophenyl)benzyl)vancomycin | NCGC00485478-01 | NCGC00485478-02 | ORI
规格或纯度 Moligand™, ≥80%, 以无水计
英文名称 Oritavancin diphosphate
生化机理 Oritavancin diphosphate (LY333328 diphosphate) 是 Vancomycin (HY-B0671) 的半合成衍生物,是具有口服活性的糖肽抗生素 (antibiotic),对革兰氏阳性菌具有杀菌 (bactericidal) 活性。Oritavancin diphosphate 对 B. anthracis 有抗菌 (antibacterial) 作用,如 Ames 菌株,其 MIC 值为 0.015 g/mL。Oritavancin diphosphate 抑制细胞壁合成和破坏膜电位。Oritavancin diphosphate 抑制 ArlS 激酶活性从而干扰信号转导。Oritavancin diphosphate 通过吸附内吞作用进入细胞,将其驱动到溶酶体,在那里发挥抗生素 (antibiotic) 活性。
储存温度 -20°C储存,充氩
运输条件 超低温冰袋运输
产品介绍

Oritavancin diphosphate (LY333328 diphosphate) 是一种新型半合成的糖肽抗生素, 可研究革兰氏阳性菌感染。

Oritavancin diphosphate (LY333328 diphosphate) is a novel semisynthetic glycopeptide antibiotic developed for treating serious Gram-positive bacterial infections.

纯度 ≥80%

关联靶点(人)

ALB Tchem Serum albumin (2651 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Homo sapiens (32628 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Streptococcus (3973 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Streptococcus pneumoniae (31063 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Enterococcus (1748 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Streptococcus viridans (303 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus epidermidis (22802 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus haemolyticus (1695 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus (1598 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Streptococcus agalactiae (1777 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Streptococcus pyogenes (16140 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Enterococcus faecium (13803 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Enterococcus faecalis (29875 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Bacillus cereus (7522 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mus musculus (284745 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Enterococcus sp. (726 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Bacillus anthracis (2936 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Plasma (328 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Serum (58 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
8238086 Cytochrome P450 (0 活性数据)
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)
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

分子类型 未知
IIUPAC Name (1S,2R,18R,19R,22S,25R,28R,40S)-2-[(2R,4S,5R,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5R,6S)-4-[[4-(4-chlorophenyl)phenyl]methylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18,32,35,37-tetrahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;phosphoric acid
INCHI 1S/C86H97Cl3N10O26.2H3O4P/c1-35(2)22-51(92-7)77(110)98-67-69(105)42-15-20-55(49(88)24-42)120-57-26-44-27-58(73(57)125-84-74(71(107)70(106)59(34-100)122-84)124-62-32-86(6,76(109)37(4)119-62)93-33-38-8-10-39(11-9-38)40-12-17-45(87)18-13-40)121-56-21-16-43(25-50(56)89)72(123-61-31-85(5,91)75(108)36(3)118-61)68-82(115)97-66(83(116)117)48-28-46(101)29-54(103)63(48)47-23-41(14-19-53(47)102)64(79(112)99-68)96-80(113)65(44)95-78(111)52(30-60(90)104)94-81(67)114;2*1-5(2,3)4/h8-21,23-29,35-37,51-52,59,61-62,64-72,74-76,84,92-93,100-103,105-109H,22,30-34,91H2,1-7H3,(H2,90,104)(H,94,114)(H,95,111)(H,96,113)(H,97,115)(H,98,110)(H,99,112)(H,116,117);2*(H3,1,2,3,4)/t36-,37-,51+,52-,59+,61-,62-,64+,65+,66-,67+,68-,69+,70+,71-,72+,74+,75-,76-,84-,85-,86-;;/m0../s1
InChi Key PWTROOMOPLCZHB-BHYQHFGMSA-N
Smiles CC1C(C(CC(O1)OC2C3C(=O)NC(C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)C(C(=O)N3)NC(=O)C6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)OC9C(C(C(C(O9)CO)O)O)OC1CC(C(C(O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)C(C(C(=O)NC(C(=O)N6)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O.OP(=O)(O)O.OP(=O)(O)O
Isomeric SMILES C[C@H]1[C@@H]([C@@](C[C@@H](O1)O[C@H]2[C@H]3C(=O)N[C@@H](C4=C(C(=CC(=C4)O)O)C5=C(C=CC(=C5)[C@H](C(=O)N3)NC(=O)[C@H]6C7=CC(=C(C(=C7)OC8=C(C=C2C=C8)Cl)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)NCC1=CC=C(C=C1)C1=CC=C(C=C1)Cl)OC1=C(C=C(C=C1)[C@H]([C@H](C(=O)N[C@H](C(=O)N6)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)O)C(=O)O)(C)N)O.OP(=O)(O)O.OP(=O)(O)O
分子量 1989.09

化学和物理性质

溶解性 DMSO: 14 mg/mL (7.04 mM)
敏感性 对湿度敏感
分子量 1793.100 g/mol
XLogP3 1.500
氢键供体数Hydrogen Bond Donor Count 20
氢键受体数Hydrogen Bond Acceptor Count 29
可旋转键计数Rotatable Bond Count 19
精确质量Exact Mass 1790.56 Da
单同位素质量Monoisotopic Mass 1790.56 Da
拓扑极表面积Topological Polar Surface Area 561.000 Ų
重原子数Heavy Atom Count 125
形式电荷Formal Charge 0
复杂度Complexity 3700.000
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 22
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)

RIDADR NONHforallmodesoftransport

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批号(Lot Number) 证书类型 货号
H2501448 分析证书 O612552
H2501449 分析证书 O612552
H2501514 分析证书 O612552
H2501515 分析证书 O612552
H2501516 分析证书 O612552
H2501450 分析证书 O612552

此产品的引用文献

引用文献

1. Arhin FF, Draghi DC, Pillar CM, Parr Jr TR, Moeck G, Sahm DF.  (2009)  Comparative in vitro activity profile of oritavancin against recent gram-positive clinical isolates..  Antimicrob Agents Chemother,  53  (11): (4762-71).  [PMID:19738026]
2. Corey GR, Loutit J, Moeck G, Wikler M, Dudley MN, O'Riordan W, SOLO I and SOLO II investigators.  (2018)  Single Intravenous Dose of Oritavancin for Treatment of Acute Skin and Skin Structure Infections Caused by Gram-Positive Bacteria: Summary of Safety Analysis from the Phase 3 SOLO Studies..  Antimicrob Agents Chemother,  62  (4): [PMID:29358292]
3. Yechang Guo, Shaofeng Wang, Peiyue Li, Pan Zhang, Wei Wang.  (2023)  Rapid Colloidal Gold Immunoassay for Pharmacokinetic Evaluation of Vancomycin in the Cerebrospinal Fluid and Plasma of Beagle Dogs.  SENSORS,  23  (21): (8978).  [PMID:37960677] [10.3390/s23218978]

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