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强效的凝血酶抑制剂

规格或纯度: ≥98%

CAS编号: 74863-84-6
分子式: C₂₃H₃₆N₆O₅S
分子量: 508.63
PubChem编号: 92722

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货号 (SKU)	包装规格	是否现货
A129916-5mg	5mg	现货
A129916-25mg	25mg	现货
A129916-100mg	100mg	现货

查看相关系列

coagulation factor II，thrombin Inhibitor

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基本描述

规格或纯度	≥98%
英文名称	Argatroban
别名	MD-805; MCI-9038
英文别名	MD-805; MCI-9038; Argipidine
生化机理	凝血酶介导的纤维蛋白原裂解的有效抑制剂（Ki = 19 nM）。凝血酶诱导的血小板活化和凝血的竞争性抑制剂。在动物模型中显示出抗血栓形成活性。该化合物是2个非对映异构体的混合物（比例为65/35）。
应用	A peptidomimetic small molecule anticoagulant and direct thrombin inhibitor.
储存温度	2-8°C储存
运输条件	冰袋运输
产品介绍	Argatroban 是一种抗凝血剂，是一种直接的小分子凝血酶抑制剂。A peptidomimetic small molecule anticoagulant and direct thrombin inhibitor. Argatroban is an anticoagulant that is a small molecule direct thrombin inhibitor. A peptidomimetic small molecule anticoagulant and direct thrombin inhibitor.

名称和标识符

IUPAC Name	(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
INCHI	InChI=1S/C23H36N6O5S/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26)/t14-,15?,17+,18-/m1/s1
InChi Key	KXNPVXPOPUZYGB-IOVMHBDKSA-N
Canonical SMILES	CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C
分子式	C₂₃H₃₆N₆O₅S
PubChem CID	92722
分子量	508.63

数据库链接

PubChem CID	92722
DrugBank Ligand	DB00278
Wikipedia	Argatroban
CAS Registry No.	74863-84-6
ChEMBL Ligand	CHEMBL1166
PEP	argatroban
Reactome Reaction	R-HSA-9015379
Reactome Drug	R-ALL-9603271
DrugCentral Ligand	239

化学和物理性质

溶解性	溶于DMSO, 最高浓度 (mg/mL): 50.86, 最高浓度(mM): 100；溶于1eq. HCl, 最高浓度 (mg/mL): 5.09, 最高浓度(mM): 10
敏感性	对热、湿度和光线敏感
熔点	180°C

靶标

Target ID

2362

名称

coagulation factor II, thrombin

缩写名

SHP2

家族

Blood coagulation components

别名

TXA₂

基因和蛋白信息

Species	Transmembrane Domains	Amino Acids	Chromosomal Location	Gene Symbol	Gene Name
Human	2	622	11p11.2	F2	coagulation factor II, thrombin
Mouse	2	618	2 50.63 cM	F2	coagulation factor II
Rat	2	617	3q24	F2	coagulation factor II

OMIM

176930 (Hs)

Entrez Gene

2147 (Hs) , 14061 (Mm) , 29251 (Rn)

UniProtKB

P00734 (Hs) , P19221 (Mm) , P18292 (Rn)

RefSeq Protein

NP_000497 (Hs) , NP_034298 (Mm) , NP_075213 (Rn)

RefSeq Nucleotide

NM_000506 (Hs) , NM_010168 (Mm) , NM_022924 (Rn)

Ensembl Gene

ENSG00000180210 (Hs) , ENSMUSG00000027249 (Mm) , ENSRNOG00000016325 (Rn)

MEROPS

S01.217 (Hs)

Orphanet

121671 (Hs)

Protein GI

4503635 (Hs) , 6753798 (Mm) , 161333847 (Rn)

DrugBank Target

P00734 (Hs) , P00734 (Hs) , P00734 (Hs)

CATH/Gene3D

4.10.140.10 (N/A) , 4.10.740.10 (N/A)

ChEMBL Target

CHEMBL1075308 (Mm) , CHEMBL204 (Hs) , CHEMBL3078 (Rn)

关联配体

Ligand ID	6385
名称	argatroban
别名	MCI-9038
类别	Synthetic organic
学名	(2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
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	Prescription is by the INN argatroban as there are no brand names. The INN-assigned compound consists of two epimers, and the version we show here matches the structure and stereochemistry in the INN document but does not specify the epimer. One of the epimers is listed on PubChem as CID 152951.