| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| I426206-1ml |
1ml |
现货  |
|
| 别名 | 伊曲康唑 | 4-[4-[4-[4-[[2-(2,4-二氯苯基)-2-(1H-1,2,4-三唑-1-基甲基)-1,3-二氧戊环-4-基]甲氧基]苯基]-1-哌嗪基]苯基]-2,4-二氢-2-(1-甲基丙基)-3H-1,2,4-三唑-3-酮 | 斯皮仁诺 | 依他康唑 | 亚特那唑 | 奥立康唑 | 孢粉 |
|---|---|
| 英文别名 | R51211 | 2-(butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | HMS2090M20 | SCHEMBL95627 | I0732 | MLS000863291 | Z2194031989 | R 51, |
| 规格或纯度 | Moligand™, 2mM in DMSO |
| 英文名称 | Itraconazole |
| 生化机理 | 细胞色素p450 CYP3A4抑制剂（咪达唑仑羟基化的IC 50 = 16-26 nM）。对真菌酶的亲和力高于哺乳动物细胞色素p450。穿越血脑屏障的能力有限。抗真菌活性。 |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 产品介绍 |
Itraconazole is a triazole antifungal agent. It inhibits the fungal CYP(cytochrome P450) oxidase-mediated synthesis of ergosterol. Itraconazole also acts as an effective hedgehog signaling inhibitor in a Ptch-independent manner, presumably by binding smoothened (Smo) at a site distinct from that targeted by cyclopamine and SAG. Itraconazole is an inhibitor of CYP3A4. Itraconazole is a triazole antifungal agent. It inhibits the fungal CYP(cytochrome P450) oxidase-mediated synthesis of ergosterol. Itraconazole also acts as an effective hedgehog signaling inhibitor in a Ptch-independent manner, presumably by binding smoothened (Smo) at a site distinct from that targeted by cyclopamine and SAG. Itraconazole is an inhibitor of CYP3A4. |
| ALogP | 5.7 |
|---|
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one |
| INCHI | 1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3 |
| InChi Key | VHVPQPYKVGDNFY-UHFFFAOYSA-N |
| Smiles | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl |
| Isomeric SMILES | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl |
| 分子量 | 705.63 |
| Reaxy-Rn | 4290027 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4290027&ln= |
| 敏感性 | 对热敏感 |
|---|---|
| 熔点 | 167.0 to 171.0 °C |
| 分子量 | 705.600 g/mol |
| XLogP3 | 5.700 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 9 |
| 可旋转键计数Rotatable Bond Count | 11 |
| 精确质量Exact Mass | 704.239 Da |
| 单同位素质量Monoisotopic Mass | 704.239 Da |
| 拓扑极表面积Topological Polar Surface Area | 101.000 Ų |
| 重原子数Heavy Atom Count | 49 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 1120.000 |
| 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 | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 3 |
| 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 |
| 象形图 | GHS07 |
|---|---|
| 信号词 | 警告 |
| 危险声明 |
H302: 吞食有害 H315: 引起皮肤刺激 H319: 引起严重眼睛刺激 H335: 可能引起呼吸道刺激 |
| 预防措施声明 |
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾 P264: 处理后要彻底洗手。 P270: 使用本产品时，请勿进食、饮水或吸烟。 P271: 仅在室外或通风良好的地方使用。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P321: 特殊处理（请参阅此标签上的...）。 P330: 漱口 P302+P352: 如皮肤沾染：用水充分清洗。 P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。 P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。 P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。 P405: 密闭存放 P403+P233: 存放在通风良好的地方。保持容器密闭。 P501: 将内容物/容器处理到。。。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 P301+P317: 如果被吞咽：请寻求医疗帮助。 P337+P317: 如果眼睛刺激持续：寻求医疗帮助。 P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。 P319: 如果你感到不适，请寻求医疗帮助。 |
| WGK Germany | 3 |
| RTECS | XZ5481000 |
| Merck Index | 5245 |
| 个人防护装备 | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
| 1. Guo Penghao, Chen Jianlong, Tan Yiwei, Xia Li, Zhang Weizheng, Li Xiaojie, Jiang Yujie, Li Ruiying, Chen Chunmei, Liao Kang, Peng Yaqin. (2022) Comparison of molecular and MALDI-TOF MS identification and antifungal susceptibility of clinical Fusarium isolates in Southern China. Frontiers in Microbiology, 13 [PMID:36386677] [10.3389/fmicb.2022.992582] |
| 2. Xu Lingling, Zhao Yajuan, Zhao Changhao, Hu Tao, Wang Jing, Liu Yi, Tian Yong, Wang Xiufang. (2020) Controlled fabrication of orchid-like nitrogen-doped hierarchical porous carbon and hollow carbon nanospheres. JOURNAL OF MATERIALS SCIENCE, 55 (34): (16143-16157). [10.1007/s10853-020-05160-x] |
| 3. Lihua Zhou, Yayun Wu, Yuan Luo, Hongfeng Li, Xiaoqing Meng, Chuangjun Liu, Jingjing Xiang, Pengfei Zhang, Ping Gong, Lintao Cai. (2019) Mitochondria-Localized Self-Reporting Small-Molecule-Decorated Theranostic Agents for Cancer-Organelle Transporting and Imaging. ACS Applied Bio Materials, 2 (11): (5164–5173). [PMID:35021459] [10.1021/acsabm.9b00811] |
| 4. Shengzheng Guo, Yuechao Cao, Yuxin Zhang, Yan Wang, Zhenguo Gao, Junbo Gong. (2024) A Scalable Freeze-Dissolving Approach to Prepare Ultrafine Crystals for Inhalation: Mechanism and Validation. CRYSTAL GROWTH & DESIGN, 24 (7): (2918-2931). [10.1021/acs.cgd.4c00018] |
| 5. Mengmin Liang, Qingwen Hu, Junhao Yu, Heng Zhang, Sijie Liu, Jiangrong Huang, Yi Sun. (2025) Baicalein combined with azoles against fungi in vitro. Frontiers in Microbiology, 16 [PMID:40182279] [10.3389/fmicb.2025.1537229] |
| 6. Kaili Deng, Hailong Tian, Tingting Zhang, Yajie Gao, Edouard C. Nice, Canhua Huang, Na Xie, Guoliang Ye, Yuping Zhou. (2024) Chemo-photothermal nanoplatform with diselenide as the key for ferroptosis in colorectal cancer. JOURNAL OF CONTROLLED RELEASE, 366 (684). [PMID:38224739] [10.1016/j.jconrel.2024.01.024] |
| 7. Heng Zhang, Yizheng Zhou, Hanmo Yang, Xinyi Tao, Yinping Chen, Fuqiang Dong, Yi Sun. (2025) In vitro interactions of berbamine hydrochloride and azoles against Aspergillus fumigatus. Microbiology Spectrum, [PMID:40162754] [10.1128/spectrum.03184-24] |
| 8. Ninghong Li, Lu Liu, Dong Liu, Hengyi Yu, Guangjie Yang, Lihui Qiu, Yufei Chen, Dong Xiang, Xuepeng Gong. (2024) Simultaneous determination of three tyrosine kinase inhibitors and three triazoles in human plasma by LC-MS/MS: applications to therapeutic drug monitoring and drug-drug interaction studies. JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 1246 (124276). [PMID:39208604] [10.1016/j.jchromb.2024.124276] |
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