PF-06751979

COA

级别和纯度:

≥99%

CAS编号: 1818339-66-0
分子式: C₁₈H₁₉F₂N₅O₃S₂
分子量: 455.50
PubChem编号: 118435360

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货号 (SKU)	包装规格	是否现货
P646348-5mg	5mg	期货
P646348-10mg	10mg	期货
P646348-25mg	25mg	期货
P646348-50mg	50mg	期货
P646348-100mg	100mg	期货

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Beta-secretase (28) 神经元信号传导 (3320)

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基本描述

英文别名	PF-06751979 \| DB15105 \| US9315520, Example 1 \| N-(2-((4aR,6S,8aR)-2-amino-6-methyl-4,4a,5,6-tetrahydropyrano[3,4-d][1,3]thiazin-8a(8H)-yl)thiazol-4-yl)-5-(difluoromethoxy)picolinamide \| AKOS040734426 \| N-(2-((4aR,6S,8aR)-2-Amino-6-methyl-4a,5,6,8-tetrahyd
规格或纯度	≥99%
英文名称	PF-06751979
生化机理	PF-06751979 是一种强效、脑穿透性、β 位淀粉样前体蛋白裂解酶 1（BACE1）抑制剂，在 BACE1 结合试验中的 IC 50 为 7.3 nM。
储存温度	-20°C储存
运输条件	超低温冰袋运输
产品介绍	PF-06751979 is a potent, brain penetrant, β-site amyloid precursor protein cleaving enzyme 1 ( BACE1 ) inhibitor with an IC 50 of 7.3 nM in BACE1 binding assay. In Vitro PF-06751979 shows improved selectivity over BACE2 (IC 50 =194 nM) in binding (27-fold) relative to the literature examples and across multiple chemical series in BACE1 program. PF-06751979 also inhibits BACE1 and BACE2 in a fluorescent polarization (FP) assay with IC 50 s of 26.9 nM and 238 nM, respectively. PF-06751979 has excellent potency at BACE1 in binding or FP assay formats along with cellular activity looking at production of sAPPβ in H4 cells with an IC 50 of 5 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo PF-06751979 displays excellent brain penetration, potent in vivo efficacy, and broad selectivity over related aspartyl proteases including BACE2. Acute administration of PF-06751979 yields a robust dose-responsive and time-dependent reduction of cerebral spinal fluid (CSF) Aβx-40 with peak inhibition at 3 h of >77%. To determine if the reduction in brain and CSF Aβ is maintained during sustained exposure to PF-06751979, a 5 day subchronic study is executed, dosing once daily by subcutaneous (SC) administration (10 or 50 mg/kg/day). Brain and CSF samples are collected on day 5, following the last dose. PF-06751979 produces a dose-responsive and time-dependent inhibition of Aβ42 in mouse brain. At the 50 mg/kg/day dose, maximal brain lowering is 63% at 7 to 9 h. Administration of PF-06751979 (10 or 50 mg/kg/day for 5 days) produces a dose-responsive and time-dependent inhibition of Aβx-40 in mouse CSF resulting in 77% inhibition of CSF at 3 h post-final 50 mg/kg dose . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 7.3 nM (BACE1), 194 nM (BACE2)
纯度	≥99%

关联靶点（人）

BACE1 Tchem β-分泌酶1(Beta-secretase 1) (7 活性数据)

点击查看靶蛋白信息： BACE1

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

BACE2 Tchem β-分泌酶2(Beta-secretase 2) (2 活性数据)

点击查看靶蛋白信息： BACE2

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

KCNH2 Tclin 钾电压门控通道亚家族 H 成员 2(Potassium voltage-gated channel subfamily H member 2) (3 活性数据)

点击查看靶蛋白信息： KCNH2

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

KCNH2 Tclin HERG (29587 活性数据)

点击查看靶蛋白信息： KCNH2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CTSD Tchem Cathepsin D (3201 活性数据)

点击查看靶蛋白信息： CTSD

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

BACE2 Tchem Beta secretase 2 (1716 活性数据)

点击查看靶蛋白信息： BACE2

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 活性数据)

点击查看靶蛋白信息： CYP2D6

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

BACE1 Tchem Beta-secretase 1 (15641 活性数据)

点击查看靶蛋白信息： BACE1

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 活性数据)

点击查看此靶标相关信息

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）

Abcb1b P-glycoprotein 1 (174 活性数据)

点击查看靶蛋白信息： Abcb1b

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 活性数据)

点击查看此靶标相关信息

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Rattus norvegicus (775804 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-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
INCHI	1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1
InChi Key	ZLZUHACSRMOLLV-RAALSFIWSA-N
Smiles	CC1CC2CSC(=NC2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N
Isomeric SMILES	C[C@H]1C[C@H]2CSC(=N[C@]2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N
关联CAS	1818339-66-0
PubChem CID	118435360
MeSH Entry Terms	2-Pyridinecarboxamide, N-(2-((4aR,6S,8aR)-2-amino-4,4a,5,6-tetrahydro-6-methylpyrano(3,4-d)(1,3)thiazin-8a(8H)-yl)-4-thiazolyl)-5-(difluoromethoxy)-;N-(2-((4aR,6S,8aR)-2-Amino-6-methyl-4,4a,5,6-tetrahydropyrano(3,4-d)(1,3)thiazin-8a(8H)-yl)-1,3-thiazol-4-
分子量	455.50

化学和物理性质

溶解性	DMSO : 150 mg/mL (329.31 mM; Need ultrasonic) Ethanol : 50 mg/mL (109.77 mM; Need ultrasonic)
分子量	455.500 g/mol
XLogP3	2.400
氢键供体数Hydrogen Bond Donor Count	2
氢键受体数Hydrogen Bond Acceptor Count	10
可旋转键计数Rotatable Bond Count	5
精确质量Exact Mass	455.09 Da
单同位素质量Monoisotopic Mass	455.09 Da
拓扑极表面积Topological Polar Surface Area	165.000 Å²
重原子数Heavy Atom Count	30
形式电荷Formal Charge	0
复杂度Complexity	676.000
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	3
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

安全和危险性（GHS）

质检证书（CoA,COO,BSE/TSE 和分析图谱)

C of A & Other Certificates(BSE/TSE, COO):

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