产品名称

英文名称：Posaconazole

同义词

HSDB 7421、2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol、BP164281、P2477、AB01274762、泊沙康唑

产品性质

CAS编号：171228-49-2

分子式：C37H42F2N8O4

分子量：700.78

MDL号：MFCD00941162

PubChem编号：468595

别名：泊沙康唑

英文别名：HSDB 7421|2,5-anhydro-1,3,4-trideoxy-2-(2,4-difluorophenyl)-4-({4-[4-(4-{1-[(1S,2S)-1-ethyl-2-hydroxypropyl]-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}phenyl)piperazin-1-yl]phenoxy}methyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol|BP164281|P2477|AB01274762

规格或纯度：≥99%

英文名称：Posaconazole

生化机理：Posaconazole is a broad-spectrum, second generation, triazole compound with antifungal activity. Posaconazole strongly inhibits 14-alpha demethylase, a cytochrome P450-dependent enzyme. Posaconazole is a sterol C14ɑ demethylase inhibitor with an IC50 of 0.25 nM. Inhibition of 14-alpha-demethylase prevents the conversion of lanosterol to ergosterol, an important component of the fungal cell wall. Inhibition of ergosterol synthesis changes the fungal cell membrane composition and integrity, alters membrane permeability and eventually leads to fungal cell lysis. Compared to other azole antifungals, posaconazole is a significantly more potent inhibitor of sterol 14-alpha demethylase. Posaconazole is the most advanced candidate for the treatment of Chagas disease. Posaconazole has entered in a phase II clinical trial in the treatment of mycoses.

应用：A triazole anti-fungal

储存温度：-20°C储存

运输条件：超低温冰袋运输

备注：5mg、10mg卖完停产，不再备货

产品介绍：Posaconazole 是甾醇C14ɑ去甲基化酶抑制剂，IC50为0.25 nM。A triazole anti-fungalProduct ApplicationRefer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.Posaconazole may have been used as reference standard in HPLC analysis for quantification of posaconazole from human plasma.

ALogP：4.6

IUPAC Name：4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one

INCHI：InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1

InChi Key：RAGOYPUPXAKGKH-XAKZXMRKSA-N

Canonical SMILES：CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Isomeric SMILES：CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

PubChem CID：468595

CAS Registry No.：171228-49-2

ChEMBL Ligand：CHEMBL1397

BindingDB Ligand：50181473

DrugBank Ligand：DB01263

RCSB PDB Ligand：X2N

溶解性：DMSO 140 mg/mL Water <1 mg/mL Ethanol <1 mg/mL

敏感性：对热敏感

比旋光度：-26° (C=1,CHCl3)

熔点：169 °C

象形图：

信号词：Danger

危险声明：H319 Causes serious eye irritationH351 Suspected of causing cancerH400 Very toxic to aquatic lifeH410 Very toxic to aquatic life with long lasting effectsH372 Causes damage to organs through prolonged or repeated exposureH361 Suspected of damaging fertility or the unborn child

预防措施声明：P305+P351+P338,P273,P280,P405,P501,P264,P260,P270,P391,P203,P264+P265,P318,P337+P317,P319

Merck Index：7602

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