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名称

PS372424 hydrochloride

别名

PS372424 盐酸盐

英文别名

(S)-N-((S)-1-((Cyclohexylmethyl)amino)-5-guanidino-1-oxopentan-2-yl)-2-(4-oxo-4-phenylbutanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride | MS-30818 | (3S)-N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[[(cyclohexylmethyl)amino]carbonyl]butyl]-2-

英文名称

PS372424 hydrochloride

货号

P647141-5mg

包装规格

5mg

浓度

≥96%

储存温度

2-8°C储存,干燥

运输条件

冰袋运输

产品介绍

PS372424 hydrochloride, a three amino-acid fragment of CXCL10, is a specific human CXCR3 agonist with anti-inflammatory activity. PS372424 hydrochloride prevents human T-cell migration in a humanized model of arthritic inflammation In Vitro PS372424 (100 ng/mL) increases p-Erk1 and p-Erk2 in U87-CXCR3-A cells after 5 min of stimulation. PS372424 (10-200 nM; 30 min) causes a concentration-dependent phosphorylation of CCR5 on CXCR3 + T cells not in CXCR3 - T cells. PS372424 competes for binding of radiolabeled CXCL10 to membranes prepared from HEK293/CXCR3 Gqi5 cells with an IC 50 of 42±21 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: CXCR3 + T cells and CXCR3 - T cells Concentration: 10, 50, 100, or 200 nM Incubation Time: 30 minutes Result: Caused a concentration-dependent phosphorylation of CCR5 on CXCR3 + T cells. Did not result in phosphorylation of CCR5 on CXCR3 - T cells. Form:Solid IC50& Target:Human CXCR3

生化机理

盐酸 PS372424 是 CXCL10 的三个氨基酸片段，是一种具有抗炎活性的特异性人类 CXCR3 激动剂。盐酸 PS372424 可在人源化关节炎模型中阻止人 T 细胞迁移。

CAS号

1596362-29-6

分子式

C33H45ClN6O4

分子量

625.20 g/mol

EC号

806-092-6

PubChem编号

117064650

Isomeric SMILES

C1CCC(CC1)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)CCC(=O)C4=CC=CC=C4.Cl

IIUPAC Name

(3S)-N-[(2S)-1-(cyclohexylmethylamino)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-(4-oxo-4-phenylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride

INCHI

1S/C33H44N6O4.ClH/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24;/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36);1H/t27-,28-;/m0./s1

InChi Key

XHGSJQNAEULTAR-DHBRAOIWSA-N

Smiles

C1CCC(CC1)CNC(=O)C(CCCN=C(N)N)NC(=O)C2CC3=CC=CC=C3CN2C(=O)CCC(=O)C4=CC=CC=C4.Cl

PubChem CID

117064650

关联CAS

914291-61-5

溶解性

DMSO : 250 mg/mL (399.87 mM; Need ultrasonic)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

624.319 Da

单同位素质量Monoisotopic Mass

624.319 Da

拓扑极表面积Topological Polar Surface Area

160.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

970

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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