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他立喹达

规格或纯度: 98%

CAS编号: 206873-63-4
分子式: C₃₈H₃₈N₄O₆
分子量: 646.73
PubChem编号: 148201

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货号 (SKU)	包装规格	是否现货
T126671-1mg	1mg	现货
T126671-5mg	5mg	现货
T126671-25mg	25mg	现货
T126671-50mg	50mg	现货
T126671-100mg	100mg	期货
T126671-250mg	250mg	现货

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ABCB1 Inhibitor

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基本描述

规格或纯度	98%
英文名称	Tariquidar
别名	3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-
英文别名	3-Quinolinecarboxamide, N-[2-[[[4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]phenyl]amino]carbonyl]-4,5-dimethoxyphenyl]-；XR9576, XR 9576, XR-9576,N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethox
生化机理	Tariquidar is a P-glycoprotein inhibitor undergoing research as an adjuvant against multidrμg resistance in cancer. Tariquidar non-competitively binds to the p-glycoprotein transporter, thereby inhibiting transmembrane transport of anticancer drμgs. Inhibition of transmembrane transport may result in increased intracellular concentrations of an anticancer drμg, thereby aμgmenting its cytotoxicity.
储存温度	-20°C储存
运输条件	超低温冰袋运输

名称和标识符

IUPAC Name	N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
INCHI	InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
InChi Key	LGGHDPFKSSRQNS-UHFFFAOYSA-N
Canonical SMILES	COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4NC(=O)C5=CC6=CC=CC=C6N=C5)OC)OC)OC
分子式	C₃₈H₃₈N₄O₆
PubChem CID	148201
分子量	646.73

数据库链接

PubChem CID	148201
ChEMBL Ligand	CHEMBL348475
BindingDB Ligand	50075373
DrugBank Ligand	DB06240
CAS Registry No.	206873-63-4
RCSB PDB Ligand	R1H

化学和物理性质

溶解性	DMSO 129 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
熔点	>190oC (dec.)

靶标

Target ID

768

名称

ABCB1

缩写名

MDR1, PGP1

家族

ABCB subfamily

基因和蛋白信息

Species	Transmembrane Domains	Amino Acids	Chromosomal Location	Gene Symbol	Gene Name
Human	12	1280	7q21.12	ABCB1	ATP binding cassette subfamily B member 1
Mouse	12	1276	5 3.43 cM	Abcb1a	ATP-binding cassette, sub-family B (MDR/TAP), member 1A
Rat	2	147	18p11	Abcb1a	ATP binding cassette subfamily B member 1A

Ensembl Gene

ENSG00000085563 (Hs) , ENSMUSG00000040584 (Mm) , ENSRNOG00000008012 (Rn)

Entrez Gene

18671 (Mm) , 170913 (Rn) , 5243 (Hs)

OMIM

171050 (Hs)

Protein GI

25453402 (Rn) , 42741659 (Hs) , 153791547 (Mm)

UniProtKB

P08183 (Hs) , P21447 (Mm)

DrugBank Target

P08183 (Hs)

ChEMBL Target

CHEMBL2573 (Mm) , CHEMBL4302 (Hs)

关联配体

Ligand ID	11787
名称	tariquidar
别名	XR9576
类别	Synthetic organic
学名	N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide
生物活性评价	The sulfonamide class of antibacterial compounds are primarily bacteriostatic agents and have a broad spectrum of activity against both Gram-positive and Gram-negative species of bacteria (reviewed in ).
评价	Tariquidar (XR9576) is a third generation inhibitor of the ATP-binding cassette transporter P-glycoprotein (P-gp; ABCB1) . P-gp is a drug transporter that can promote resistance to drugs, including chemotherapeutics. Pharmacologic inhibition of P-gp is an established strategy that is being investigated to block this resistance mechanism in cancers .
临床描述	To determine whether tariquidar + combined first-line chemotherapy of paclitaxel/carboplatin in patients with Stage IIIb/IV NSCLC will, with an acceptable safety profile, significantly improve overall survival compared with placebo + paclitaxel/carboplatin. To compare the effects of tariquidar/paclitaxel/carboplatin with placebo/paclitaxel/carboplatin on tumor response, time to disease progression, performance status, symptom progression, and quality of life in patients with Stage IIIb/IV NSCLC.
来源公司	QLT Inc.

参考文献

1. Fox E, Bates SE. (2007) Tariquidar (XR9576): a P-glycoprotein drug efflux pump inhibitor.. Expert Rev Anticancer Ther, 7 (4): (447-59). [PMID:17428165]
2. Lai JI, Tseng YJ, Chen MH, Huang CF, Chang PM. (2020) Clinical Perspective of FDA Approved Drugs With P-Glycoprotein Inhibition Activities for Potential Cancer Therapeutics.. Front Oncol, 10 (13): (561936). [PMID:33312947]