产品名称

英文名称：Firategrast

同义词

Firategrast、402567-16-2、Firategrast (USAN)、SB-683699、Firategrast [USAN]、SB 683699、OJY3SK9H5F、SB683699、Firategrast(SB-683699)、(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid、(2S)-2-((2,6-Difluorobenzoyl)

产品性质

CAS编号：402567-16-2

分子式：C27H27F2NO6

分子量：499.5

PubChem编号：9935681

英文别名：Firategrast|402567-16-2|Firategrast (USAN)|SB-683699|Firategrast [USAN]|SB 683699|OJY3SK9H5F|SB683699|Firategrast(SB-683699)|(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid|(2S)-2-((2,6-Difluorobenzoyl)

英文名称：Firategrast

生化机理：DescriptionIC50 Value N/AFirategrast is an orally bioavailable alpha4 beta1/alpha4 beta7 integrin antagonist designed to reduce trafficking of lymphocytes into the central nervous system (CNS).in vitro N/Ain vivo Median (n, range) CSF lymphocyte counts (cells/?l) at weeks 0, 24, 28 and 36 were 5.3 (44, 0.3-70.2), 3.3 (31, 0.0-99.0), 3.0 (32, 0.0-58.2) and 3.5 (29, 0.0-274.8). CD4+, CD8+ T- and CD19+ B-lymphocyte counts followed a similar pattern. Minimal changes were observed for CD3-CD16+CD56+ natural killer cells. Median CD4 CD8 ratios were 2.9 (41, 1.1-10.9), 2.2 (29, 0.6-5.9), 3.8 (28, 1.6-9.0) and 3.8 (21, 2.1-9.4). Blood lymphocyte counts were elevated at weeks 4 and 24, consistent with the mechanism of firategrast, and returned to baseline when firategrast was discontinued [1].Toxicity Firategrast was generally well tolerated at all doses. The frequency of all adverse events was similar across all treatment groups except for an increased rate of urinary tract infections in the high-dose firategrast group. No cases of progressive multifocal leukoencephalopathy or evidence of reactivation of JC virus were identified [2].Clinical trial Study Of White Blood Cells In The Cerebrospinal Fluid And Blood Of Patients With Relapsing Forms Of Multiple Sclerosis. Phase 2

储存温度：-20°C储存

运输条件：超低温冰袋运输

ALogP：4.6

IUPAC Name：(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid

INCHI：InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1

InChi Key：YLFZHHDVRSYTKT-NRFANRHFSA-N

Canonical SMILES：CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC

Isomeric SMILES：CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC

PubChem CID：9935681

CAS Registry No.：402567-16-2

ChEMBL Ligand：CHEMBL2104967

DrugBank Ligand：DB12732

溶解性：25°C DMSO

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