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Ibiglustat, 神经酰胺葡萄糖基转移酶抑制剂

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货号 (SKU) 包装规格 是否现货 价格 数量
G173905-1mg
 1mg 现货 Stock Image
G173905-5mg
 5mg 现货 Stock Image
G173905-10mg
 10mg 现货 Stock Image
G173905-25mg
 25mg 现货 Stock Image
G173905-50mg
 50mg 现货 Stock Image
G173905-100mg
 100mg 现货 Stock Image
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Glucosylceramide Synthase (GCS) (14) UDP-glucose ceramide glucosyltransferase Inhibitor (3) 神经元信号传导 (3320)
main product photo

基本描述

别名 伊比鲁司他
英文别名 HY-16743 | SCHEMBL12615329 | DB14966 | Ibiglustat | (S)-Quinuclidin-3-yl(2-(2-(4-fluorophenyl)thiazol-4-yl)propan-2-yl)carbamate | Venglustat (USAN/INN) | GTPL11550 | GZ/SAR402671 | GZ/SAR-402671 | SAR402671 | SAR-402671 | D11633 | EN300-17267 | Ibiglusta
规格或纯度 Moligand™, ≥98%
英文名称 Ibiglustat
储存温度 -20°C储存
运输条件 超低温冰袋运输
作用类型 抑制剂
作用机制 神经酰胺葡萄糖基转移酶抑制剂
产品介绍

Ibiglustat (Venglustat) 是一种具有口服活性的，可透过血脑屏障的葡萄糖神经酰胺合成酶 (GCS) 抑制剂。Ibiglustat 可用于研究戈谢病 3 型、与 GBA 突变相关的帕金森病、法布瑞氏症、GM2 神经节苷脂病和常染色体显性多囊肾病。

Ibiglustat (Venglustat) is a glucose ceramide synthase (GCS) inhibitor with oral activity that can penetrate the blood-brain barrier. Ibiglustat can be used to study Goecher's disease type 3, Parkinson's disease associated with GBA mutations, Fabry's disease, GM2 gangliosis, and autosomal dominant polycystic kidney disease.
纯度 ≥98%

产品属性

ALogP 3.5

关联靶点（人）

UGCG Tclin 神经酰胺葡萄糖基转移酶(Ceramide glucosyltransferase) (0 活性数据)
活性类型 活性值-log(M) 作用机制 期刊 参考文献(PubMed IDs)
UGCG Tclin Ceramide glucosyltransferase (308 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DNMT3A Tclin DNA (cytosine-5)-methyltransferase 3A (310 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SETD7 Tchem Histone-lysine N-methyltransferase SETD7 (390 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT1 Tchem Protein-arginine N-methyltransferase 1 (867 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT3 Tchem Protein arginine N-methyltransferase 3 (219 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DNMT3B Tchem DNA (cytosine-5)-methyltransferase 3B (150 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT6 Tchem Protein arginine N-methyltransferase 6 (321 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DOT1L Tchem Histone-lysine N-methyltransferase, H3 lysine-79 specific (648 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SUV39H1 Tchem Histone-lysine N-methyltransferase SUV39H1 (101 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT5A Tchem N-lysine methyltransferase SETD8 (202 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SUV39H2 Tchem Histone-lysine N-methyltransferase SUV39H2 (524 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMYD2 Tchem N-lysine methyltransferase SMYD2 (395 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EZH2 Tclin Histone-lysine N-methyltransferase EZH2 (2012 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT2B Tbio Histone-lysine N-methyltransferase MLL4 (6 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT2C Tbio Histone-lysine N-methyltransferase MLL3 (36 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT2D Tbio Histone-lysine N-methyltransferase MLL2 (15 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
EZH1 Tchem Histone-lysine N-methyltransferase EZH1 (112 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SMYD3 Tchem Histone-lysine N-methyltransferase SMYD3 (260 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KMT5B Tchem Histone-lysine N-methyltransferase SUV420H1 (49 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NNMT Tchem Nicotinamide N-methyltransferase (469 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NSD2 Tchem Histone-lysine N-methyltransferase NSD2 (803 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NSD3 Tchem Histone-lysine N-methyltransferase NSD3 (55 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SETD2 Tchem Histone-lysine N-methyltransferase SETD2 (119 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT8 Tchem Protein arginine N-methyltransferase 8 (122 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT5 Tchem PRMT5/MEP50 complex (963 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRMT7 Tchem Protein arginine N-methyltransferase 7 (86 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PRDM9 Tbio Histone-lysine N-methyltransferase PRDM9 (46 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NSD1 Tbio Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific (52 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ASH1L Tbio Histone-lysine N-methyltransferase ASH1L (468 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
METTL21A Tbio Protein N-lysine methyltransferase METTL21A (29 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DNMT3B Tchem DNMT3B-DNMT3L complex (25 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SETD1B Tbio Histone-lysine N-methyltransferase SETD1B (7 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）

Carm1 Histone-arginine methyltransferase CARM1 (53 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 小分子
IIUPAC Name [(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-yl]carbamate
INCHI 1S/C20H24FN3O2S/c1-20(2,17-12-27-18(22-17)14-3-5-15(21)6-4-14)23-19(25)26-16-11-24-9-7-13(16)8-10-24/h3-6,12-13,16H,7-11H2,1-2H3,(H,23,25)/t16-/m1/s1
InChi Key YFHRCLAKZBDRHN-MRXNPFEDSA-N
Smiles CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)OC3CN4CCC3CC4
Isomeric SMILES CC(C)(C1=CSC(=N1)C2=CC=C(C=C2)F)NC(=O)O[C@@H]3CN4CCC3CC4
分子量 389.49
Reaxy-Rn 27448625
Reaxys-RN link address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27448625&ln=

化学和物理性质

分子量 389.500 g/mol
XLogP3 3.500
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 6
可旋转键计数Rotatable Bond Count 5
精确质量Exact Mass 389.157 Da
单同位素质量Monoisotopic Mass 389.157 Da
拓扑极表面积Topological Polar Surface Area 82.700 Ų
重原子数Heavy Atom Count 27
形式电荷Formal Charge 0
复杂度Complexity 533.000
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 1
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

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找到10个结果

批号(Lot Number) 证书类型 货号
F2414294 分析证书 G173905
F2414295 分析证书 G173905
F2414296 分析证书 G173905
F2414297 分析证书 G173905
F2414298 分析证书 G173905
F2414299 分析证书 G173905
F2414300 分析证书 G173905
F2414301 分析证书 G173905
F2414302 分析证书 G173905
F2414303 分析证书 G173905

引用文献

1. Vitner EB, Achdout H, Avraham R, Politi B, Cherry L, Tamir H, Yahalom-Ronen Y, Paran N, Melamed S, Erez N et al..  (2021)  Glucosylceramide synthase inhibitors prevent replication of SARS-CoV-2 and Influenza virus..  J Biol Chem,  (100470).  [PMID:33639165] [10.1016/j.jbc.2021.100470]
2. Wilson MW, Shu L, Hinkovska-Galcheva V, Jin Y, Rajeswaran W, Abe A, Zhao T, Luo R, Wang L, Wen B et al..  (2020)  Optimization of Eliglustat-Based Glucosylceramide Synthase Inhibitors as Substrate Reduction Therapy for Gaucher Disease Type 3..  ACS Chem Neurosci,  11  (20): (3464-3473).  [PMID:33035424]
3. Dong G, Deng Y, Yasgar A, Yadav R, Talley D, Zakharov AV, Jain S, Rai G, Noinaj N, Simeonov A et al..  (2022)  Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner..  J Med Chem,  [PMID:36074125] [10.1021/acs.jmedchem.2c01050]
4. Schneider SA, Alcalay RN.  (2020)  Precision medicine in Parkinson's disease: emerging treatments for genetic Parkinson's disease..  J Neurol,  267  (3): (860-869).  [PMID:31974807]
5. van der Veen SJ, Hollak CEM, van Kuilenburg ABP, Langeveld M.  (2020)  Developments in the treatment of Fabry disease..  J Inherit Metab Dis,  43  (5): (908-921).  [PMID:32083331]

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