AVN-944, 肌苷-5'-单磷酸脱氢酶（IMPDH）抑制剂

COA

级别和纯度:

≥99%

CAS编号: 297730-17-7
分子式: C₂₅H₂₇N₅O₅
分子量: 477.51
PubChem编号: 9918559

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货号 (SKU)	包装规格	是否现货
A646297-1mg	1mg	期货
A646297-5mg	5mg	期货
A646297-10mg	10mg	期货
A646297-50mg	50mg	期货

查看相关系列

Anti-infection (2804) Apoptosis (7108) Arenavirus (22) Bcl-2 Family (144) Caspase (139) Cell Cycle (7376) Cell Cycle/DNA Damage (2603) DNA/RNA Synthesis (362) Intrinsic Pathway (1438) Virus (3767)

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基本描述

英文别名	AVN-944 \| HY-13560 \| DTXSID80183921 \| 501345-02-4 \| CARBAMIC ACID, N-((1S)-1-(3-((((3-METHOXY-4-(5-OXAZOLYL)PHENYL)AMINO)CARBONYL)AMINO)PHENYL)ETHYL)-, (1R)-1-(CYANOMETHYL)PROPYL ESTER \| NSC-767601 \| (R)-1-cyanobutan-2-yl ((S)-1-(3-(3-(3-methoxy-4-(oxazol
规格或纯度	≥99%
英文名称	AVN-944
生化机理	AVN-944 （VX-944）是一种口服活性、强效、选择性、非竞争性和特异性的 IMPDH（单磷酸肌苷脱氢酶）抑制剂。AVN-944 是鸟嘌呤核苷酸从头合成过程中一种重要的限速酶。AVN-944 还是一种抑制 IMPDH（肌苷一磷酸脱氢酶）的特异性抑制剂。
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	肌苷-5'-单磷酸脱氢酶（IMPDH）抑制剂
产品介绍	AVN-944 (VX-944) is an orally active, potent, selective, noncompetitive and specific inhibitor of IMPDH (inosine monophosphate dehydrogenase). AVN-944 is an essential rate-limiting enzyme in de novo guanine nucleotide synthesis. AVN-944 is also an inhibitor of arenavirus RNA synthesis , and blocks arenavirus infection. AVN-944 has broad anti-cancer activities, and can be used for multiple myeloma (MM) and acute myeloid leukemia (AML) research . In Vitro AVN-944 (0-1 μM, 48 h) inhibits growth of human multiple myeloma (MM) cell lines in a dose-dependent manner. AVN-944 (800 nM, 0-72 h) induces apoptosis in MM cell lines via a caspase-independent, Bax/AIF/Endo G pathway. AVN-944 (0-200 nM) enhances the cytotoxicity of Doxorubicin and Melphalan . AVN-944 inhibits the proliferation of the human MV-4-11 and murine Ba/F3-Flt3-ITD-dependent cell lines with IC 50 values of 26 and 30 nM, respectively. AVN-944 (0-32 μM, 48 h) shows good activity against arenavirus infection at low doses (7.5 μM) with less cytotoxicity. AVN-944 (0-6.4 μM, 48 h) does not reduce the viability of peripheral blood mononuclear cells (PBMNCs). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: RPMI8226, MM.1S, and U266 cells Concentration: 0, 100, 200, 300, 400, 600, 1000 nM Incubation Time: 48 h Result: Significantly inhibited the growth of RPMI8226, MM.1S, and U266 cells in a dose-dependent fashion, with 50% inhibition (IC 50 ) values at 48 h of 450, 450, and 600 nM, respectively. Inhibited growth of drug-resistant cell lines, including Doxorubicin (Dox)-resistant RPMI8226-Dox40, Melphalan (Mel) resistant RPMI8226-LR5, and Dex (Dexamethasone) resistant MM.1R cells, with IC 50 values similar to the parental drug-sensitive cell lines. Apoptosis AnalysisCell Line: MM.1S and RPMI8226 cells Concentration: 800 nM Incubation Time: 48 and 72 h Result: Induced apoptosis in MM cell lines. Western Blot AnalysisCell Line: MM.1S and RPMI8226 cells Concentration: 800 nM Incubation Time: 12, 24, 48 h Result: Induced modest cleavage of caspase 3, 8 and 9 in MM.1S cells and RPMI8226 cells. Markedly upregulated Bax and Bak, without significant changes in Bcl-2, Mcl-1, XIAP, and Bad. Observed translocation of mitochondrial proapoptotic proteins, apoptosis-inducing factor (AIF) and endonuclease G (Endo G) to cytosolic fractions. Cell Cytotoxicity AssayCell Line: MM.1S cells, MM.1S cells cultured with BMSCs Concentration: 0, 50, 200 nM Incubation Time: 24 h Result: Enhanced the cytotoxicity of of Doxorubicin and Melphalan in MM.1S cells. Additive effects were also observed in MM.1S cells cultured with BMSCs derived from MM patient. In Vivo AVN-944 (0-150 mg/kg, Orally, twice daily) significantly increases the median survival time of leukemia model mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Balb/c mice (leukemia model, using Ba/F3 cells transduced with an activating human Flt-3 mutation injected into mice)Dosage: 75 or 150 mg/kg Administration: Orally, twice daily Result: Provided a significant increase in median survival time. Three of the 12 mice treated with 150 mg/kg AVN-944 were still alive on Day 35 when the study was terminated. Form:Solid
纯度	≥99%

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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	[(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate
INCHI	1S/C25H27N5O5/c1-4-20(10-11-26)35-25(32)28-16(2)17-6-5-7-18(12-17)29-24(31)30-19-8-9-21(22(13-19)33-3)23-14-27-15-34-23/h5-9,12-16,20H,4,10H2,1-3H3,(H,28,32)(H2,29,30,31)/t16-,20+/m0/s1
InChi Key	GYCPCOJTCINIFZ-OXJNMPFZSA-N
Smiles	CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC
Isomeric SMILES	CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC
PubChem CID	9918559
分子量	477.51

化学和物理性质

溶解性	DMSO : 100 mg/mL (209.42 mM; Need ultrasonic)
分子量	477.500 g/mol
XLogP3	3.100
氢键供体数Hydrogen Bond Donor Count	3
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	10
精确质量Exact Mass	477.201 Da
单同位素质量Monoisotopic Mass	477.201 Da
拓扑极表面积Topological Polar Surface Area	139.000 Å²
重原子数Heavy Atom Count	35
形式电荷Formal Charge	0
复杂度Complexity	743.000
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	2
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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AVN-944, 肌苷-5'-单磷酸脱氢酶（IMPDH）抑制剂

库存信息

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基本描述

产品属性

关联靶点（其它种属）

作用机制

名称和识别符

化学和物理性质

质检证书（CoA,COO,BSE/TSE 和分析图谱)

溶液计算器

摩尔浓度计算器

稀释计算器

复溶计算器