特立氟胺

COA

级别和纯度:

≥99%

CAS编号: 163451-81-8
分子式: C₁₂H₉F₃N₂O₂
分子量: 270.21
MDL号: MFCD00910058
PubChem编号: 54684141

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货号 (SKU)	包装规格	是否现货
T124990-50mg	50mg	现货
T124990-250mg	250mg	现货
T124990-1g	1g	期货
T124990-5g	5g	期货

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Drug Metabolite (244) Metabolic Enzyme/Protease (4889) 代谢物 (8911) 药物成分 (367)

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基本描述

别名	特立氟胺
英文别名	J-010046 \| MFCD00910058 \| HY-110159 \| NCGC00263218-07 \| A771726 \| A-771726 \| A77-1726 \| A801897 \| SW219377-1 \| 2-Butenamide, 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)- \| 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide \| Aubagio \| HMS388
规格或纯度	≥99%
英文名称	Teriflunomide
生化机理	来氟米特的活性代谢物，可抑制 Cox-2
储存温度	2-8°C储存
运输条件	冰袋运输
产品介绍	A77 1726, also known as teriflunomide, is the active metabolite of leflunomide. This compound has demonstrated antiinflammatory, antiproliferative, and immunosuppressive effects. A77 1726 has been shown to inhibit the proliferation of multiple mammalian cell lines in vitro, has demonstrated inhibition of Cox-2, dendritic cell function, DHODH (dihydroorotate dehydrogenase), and blocks TNF-dependent nuclear factor-κ B activation and gene expression. DHODH is an enzyme involved in the de novo synthesis of pyrimidine nucleotides, and its inhibition is thoμght to result in the antiproliferative effects on rapidly dividing cells, such as T-cells, observed by this compound. A77 1726, also known as teriflunomide, is the active metabolite of leflunomide. This compound has demonstrated antiinflammatory, antiproliferative, and immunosuppressive effects. A77 1726 has been shown to inhibit the proliferation of multiple mammalian cell lines in vitro, has demonstrated inhibition of Cox-2, dendritic cell function, DHODH (dihydroorotate dehydrogenase), and blocks TNF-dependent nuclear factor-κ B activation and gene expression. DHODH is an enzyme involved in the de novo synthesis of pyrimidine nucleotides, and its inhibition is thought to result in the antiproliferative effects on rapidly dividing cells, such as T-cells, observed by this compound.
纯度	≥99%

关联靶点（人）

DHFR Tclin 二氢叶酸还原酶(Dihydrofolate reductase) (0 活性数据)

点击查看靶蛋白信息： DHFR

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

DHODH Tclin 二氢乳清酸脱氢酶（醌），线粒体(Dihydroorotate dehydrogenase (quinone), mitochondrial) (0 活性数据)

点击查看靶蛋白信息： DHODH

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

名称和识别符

IIUPAC Name	(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
INCHI	1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
InChi Key	UTNUDOFZCWSZMS-YFHOEESVSA-N
Smiles	CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O
Isomeric SMILES	C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O
PubChem CID	54684141
分子量	270.21

化学和物理性质

溶解性	Soluble in DMSO (32 mg/ml at 25 °C), methanol, DMF (~21.6 mg/ml), ethanol (1.35 mg/ml, sonication), and water (slightly).
敏感性	对热敏感
熔点	229 °C
分子量	270.210 g/mol
XLogP3	3.300
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	2
精确质量Exact Mass	270.062 Da
单同位素质量Monoisotopic Mass	270.062 Da
拓扑极表面积Topological Polar Surface Area	73.100 Å²
重原子数Heavy Atom Count	19
形式电荷Formal Charge	0
复杂度Complexity	426.000
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	1
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	1
共价键合单元计数Covalently-Bonded Unit Count	1

安全和危险性（GHS）

象形图	GHS07
信号词	警告
WGK Germany	3
Merck Index	9165

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批号(Lot Number)	证书类型	货号
K2418051	分析证书	T124990
E1528016	分析证书	T124990

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