BPO-27 racemate

COA

级别和纯度:

≥98%

CAS编号: 1314873-02-3
分子式: C₂₆H₁₈BrN₃O₆
分子量: 548.34
PubChem编号: 53387352

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货号 (SKU)	包装规格	是否现货
B651305-1mg	1mg	期货
B651305-5mg	5mg	期货
B651305-10mg	10mg	期货

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Autophagy (2848) CFTR (52) 膜转运体 (1142) 膜转运器/离子通道 (1829)

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基本描述

别名	BPO-27 消旋体
英文别名	BPO-27 (racemate) \| GLXC-26049 \| SCHEMBL14233234 \| BDBM50353351 \| BPO-27(racemate) \| T5WV2JH7PN \| VPO-227 \| BPO-27 racemat \| 6-(5-Bromo-2-furanyl)-7,8,9,10-tetrahydro-7,9-dimethyl-8,10-dioxo-11-phenyl-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-2
规格或纯度	≥98%
英文名称	BPO-27 racemate
生化机理	BPO-27 消旋物是一种强效的 CFTR 抑制剂，其 IC 50 为 8 nM。
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
产品介绍	BPO-27 racemate is a potent CFTR inhibitor with an IC 50 of 8 nM. In Vitro The benzopyrimido-pyrrolo-oxazinedione BPO-27 is an analogue of PPQ-102, which inhibits CFTR with an IC 50 of 8 nM. The R enantiomer of BPO-27 inhibits CFTR chloride conductance with an IC 50 of 4 nM, while S enantiomer is inactive. In vitro metabolic stability in hepatic microsomes shows both enantiomers as stable, with less than 5% metabolism in 4 h. (R)-BPO-27 binds near the canonical ATP binding site. Whole-cell patch-clamp studies shows linear CFTR currents with a voltage-independent (R)-BPO-27 block mechanism. At a concentration of (R)-BPO-27 that inhibits CFTR chloride current by 50%, the EC 50 for ATP activation of CFTR increases from 0.27 to 1.77 mM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Following bolus interperitoneal administration in mice, serum (R)-1 decays with t 1/2 ≈ 1.6 h and gives sustained therapeutic concentrations in kidney . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Assay Whole-cell recordings are done on CFTR-expressing CHO-K1 cells. After establishing the whole-cell configuration, BPO-27 is added for 5 minutes, and then CFTR is activated by the addition of forskolin (10 μM) in the continued presence of BPO-27 (0.5 or 1 μM). Whole-cell currents are elicited by applying hyperpolarizing and depolarizing voltage pulses from a holding potential of 0 mV to potentials between +80 and −80 mV in steps of 20 mV. Recordings are made at room temperature using an Axopatch-200B. Currents are digitized with a Digidata 1440A converter and filtered at 5 kHz. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 8 nM
纯度	≥98%

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Liver microsomes (16955 活性数据)

点击查看此靶标相关信息

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关联靶点（其它种属）

Kidney (1278 活性数据)

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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	9-(5-bromofuran-2-yl)-12,14-dimethyl-13,15-dioxo-17-phenyl-8-oxa-1,12,14-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,16-pentaene-4-carboxylic acid
INCHI	1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)
InChi Key	GNHIGSRGYXEQEP-UHFFFAOYSA-N
Smiles	CN1C2=C3C(OC4=C(N3C(=C2C(=O)N(C1=O)C)C5=CC=CC=C5)C=C(C=C4)C(=O)O)C6=CC=C(O6)Br
Isomeric SMILES	CN1C2=C3C(OC4=C(N3C(=C2C(=O)N(C1=O)C)C5=CC=CC=C5)C=C(C=C4)C(=O)O)C6=CC=C(O6)Br
关联CAS	1314873-02-3
PubChem CID	53387352
分子量	548.34

化学和物理性质

溶解性	DMSO : 16.67 mg/mL (30.40 mM; Need ultrasonic)
分子量	548.300 g/mol
XLogP3	3.800
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	3
精确质量Exact Mass	547.038 Da
单同位素质量Monoisotopic Mass	547.038 Da
拓扑极表面积Topological Polar Surface Area	105.000 Å²
重原子数Heavy Atom Count	36
形式电荷Formal Charge	0
复杂度Complexity	914.000
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	1
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