LysRs-IN-2

COA

级别和纯度:

≥99%

CAS编号: 2170696-76-9
分子式: C₁₇H₁₆F₃NO₄
分子量: 355.31
PubChem编号: 134158252

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货号 (SKU)	包装规格	是否现货
L648640-1mg	1mg	期货
L648640-5mg	5mg	期货
L648640-10mg	10mg	期货

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Aminoacyl-tRNA Synthetase (14) Metabolic Enzyme/Protease (4889) Nucleic Acid Metabolism (949)

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基本描述

别名	赖氨酸受体-IN-2
规格或纯度	≥99%
英文名称	LysRs-IN-2
生化机理	LysRs-IN-2 是一种赖氨酰-tRNA 合成酶（KRS）抑制剂，对恶性疟原虫赖氨酰-tRNA 合成酶（Pf KRS）和副隐孢子虫赖氨酰-tRNA 合成酶（Cp KRS）的 IC 50 s 分别为 0.015 μM 和 0.13 μM。
储存温度	2-8°C储存
运输条件	冰袋运输
作用类型	抑制剂
产品介绍	LysRs-IN-2 is a lysyl-tRNA synthetase (KRS) inhibitor with IC 50 s of 0.015 μM and 0.13 μM for Plasmodium falciparum lysyl-tRNA synthetase ( Pf KRS) and Cryptosporidium parvum lysyl-tRNA synthetase ( Cp KRS), respectively In Vitro LysRs-IN-2 is active against whole-cell bloodstream P. falciparum 3D7 (EC 50 =0.27 μM), Hs KRS (IC 50 =1.8 μM), HepG2 cells (EC 50 =49 μM), and Cryptosporidium parvum (EC 50 =2.5 µM). MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo LysRs-IN-2 (1.5 mg/kg; orally once a day for 4 days) reduces parasitemia by 90% in the murine P. falciparum SCID model. LysRs-IN-2 (20 mg/kg; orally once a day for 7 days) reduces parasite shedding in NOD SCID gamma mice and INF-γ-knockout mice ( Cryptosporidium mouse models) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Murine P. falciparum NODscidIL2Rγ (SCID) model Dosage: 1.5 mg/kg Administration: Orally once a day for 4 days Result: Reduced parasitemia by 90% in the malaria SCID mouse model. Animal Model: NOD SCID gamma and INF-γ–knockout mouse models ( Cryptosporidium mouse models) Dosage: 20 mg/kg Administration: Orally once a day for 7 days Result: Reduced parasite shedding below detection level, and this reduction was sustained for 3 wk after treatment had stopped in INF-γ-knockout mice.\nDosed orally at a concentration of 20 mg/kg once a day for 7 days showed 96% reduction of parasite shedding comparable to paromomycin in NOD SCID gamma mice. Form:Solid IC50& Target:IC50: 0.015 μM ( Pf KRS), 0.13 μM ( Cp KRS)
纯度	≥99%

关联靶点（其它种属）

Methionyl-tRNA synthetase, putative (498 活性数据)

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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	N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide
INCHI	1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)
InChi Key	PJBRCGHQNUWERQ-UHFFFAOYSA-N
Smiles	C1CC(CCC1(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F)O)(F)F
Isomeric SMILES	C1CC(CCC1(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)F)O)(F)F
PubChem CID	134158252
分子量	355.31

化学和物理性质

溶解性	DMSO : ≥ 60 mg/mL (168.87 mM)
分子量	355.310 g/mol
XLogP3	2.200
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	7
可旋转键计数Rotatable Bond Count	3
精确质量Exact Mass	355.103 Da
单同位素质量Monoisotopic Mass	355.103 Da
拓扑极表面积Topological Polar Surface Area	75.600 Å²
重原子数Heavy Atom Count	25
形式电荷Formal Charge	0
复杂度Complexity	582.000
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	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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