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氯喹

规格或纯度: 97%

CAS编号: 54-05-7
分子式: C₁₈H₂₆ClN₃
分子量: 319.87
EC号: 200-191-2
PubChem编号: 2719

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货号 (SKU)	包装规格	是否现货
C193834-250mg	250mg	现货
C193834-1g	1g	现货
C193834-5g	5g	现货
C193834-25g	25g	现货

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MRGPRX1 Agonist TAS2R3 Agonist

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基本描述

规格或纯度	97%
英文名称	Chloroquine
别名	氯喹盐基；N4-(7-氯喹啉-4-yl)-N1,N1-二乙基戊烷-1,4-二胺
英文别名	(7-chloro-4-(4-diethylamino-1-methylbutylamino)-quinoline ;1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-;
储存温度	2-8°C储存,充氩
运输条件	冰袋运输
备注	50mg卖完停产，不再备货

名称和标识符

EC号	200-191-2
IUPAC Name	4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
INCHI	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
InChi Key	WHTVZRBIWZFKQO-UHFFFAOYSA-N
Canonical SMILES	CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl
分子式	C₁₈H₂₆ClN₃
关联CAS	54-05-7
NSC Number	187208
UNII	886U3H6UFF
PubChem CID	2719
分子量	319.87

数据库链接

Wikipedia	Chloroquine
CAS Registry No.	54-05-7
ChEBI	CHEBI:3638
DrugBank Ligand	DB00608
PubChem CID	2719
ChEMBL Ligand	CHEMBL76
BitterDB Ligand	87
Immunopaedia Search	chloroquine
RCSB PDB Ligand	CLQ
Reactome Reaction	R-HSA-9683467, R-HSA-9683478, R-HSA-5625574, R-HSA-597628
Reactome Drug	R-ALL-9683477, R-ALL-9678941, R-ALL-9690591
DrugCentral Ligand	607
GPCRdb Ligand	chloroquine

化学和物理性质

溶解性	Chloroform (Slightly), Methanol (Slightly)
敏感性	对空气敏感；对热敏感
熔点	91 °C
比旋光度	-1.0 to +1.0 deg (C=1, methanol)

安全信息

象形图	Harmful
信号词	Warning
危险声明	H302: Harmful if swallowed
预防措施声明	P501,P264,P270,P330,P301+P317

靶标

Target ID

156

名称

MRGPRX1

缩写名

SHP2

家族

Class A Orphans

别名

基因和蛋白信息

Species	Transmembrane Domains	Amino Acids	Chromosomal Location	Gene Symbol	Gene Name
Human	7	322	11p15.1	MRGPRX1	MAS related GPR family member X1

RefSeq Protein

NP_671732 (Hs)

UniProtKB

Q96LB2 (Hs)

OMIM

607227 (Hs)

RefSeq Nucleotide

NM_147199 (Hs)

Entrez Gene

259249 (Hs)

Ensembl Gene

ENSG00000170255 (Hs)

Protein GI

125660451 (Hs)

dbSNP

rs11024885 (Hs) , rs138263314 (Hs) , rs55954376 (Hs) , rs78179510 (Hs) , rs11024885 (Hs)

GPCRdb

mrgx1_human (Hs)

UniProtKB ID/Entry name

MRGX1_HUMAN (Hs)

ChEMBL Target

CHEMBL5850 (Hs)

Target ID

660

名称

TAS2R3

缩写名

SHP2

家族

Taste 2 receptors

别名

LESTR

基因和蛋白信息

Species	Transmembrane Domains	Amino Acids	Chromosomal Location	Gene Symbol	Gene Name
Human	7	316	7q34	TAS2R3	taste 2 receptor member 3

Entrez Gene

50831 (Hs)

OMIM

604868 (Hs)

UniProtKB

Q9NYW6 (Hs)

Ensembl Gene

ENSG00000127362 (Hs)

RefSeq Nucleotide

NM_016943 (Hs)

Protein GI

8394398 (Hs)

GPCRdb

ta2r3_human (Hs)

BitterDB Receptor

3 (Hs)

UniProtKB ID/Entry name

TA2R3_HUMAN (Hs)

ChEMBL Target

CHEMBL4523474 (Hs)

关联配体

Ligand ID	5535
名称	chloroquine
别名	chloraquine
类别	Synthetic organic
学名	N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine
生物活性评价	Chloroquine is active against only the erythrocytic forms of P. vivax, P. malariae, and susceptible strains of P. falciparum (but not the gametocytes of P. falciparum). In humans, chloroquine inhibits thiamine uptake acting specifically on thiamine transporter 2 (SLC19A3). Chloroquine is one of a number of drugs that are cationic amphiphilic in nature, for which anti-SARS-CoV-2 activity has been identified in drug repurposing screens. Tummino et al. (2021; bioRxiv preprint PMID: 33791693 target="_blank") suggest that this antiviral activity is most likely a result of the drug promoting phospholipidosis via disruption of lipid homeostasis.
评价	Chloroquine is a 4-aminoquinoline and used primarily as an antimalarial drug. The approved drug is a racemic mixture and we show the chemical structure without stereochemistry to represent the mixture. The non-isomeric structure is also represented in the PubChem, ChEMBL and ChEBI entries listed in the links table below, while the two enantiomers forming the racemate are represented by PubChem CID 444810 and PubChem CID 639540. The PDB entry listed in the links table is for (R)-chloroquine. Marketed formulations may contain chloroquine phosphate (PubChem CID 64927). The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
配体家族	Antimalarial ligands