GNE-3500, RAR 相关孤儿受体-γ 的激动剂

级别和纯度:

Moligand™

有货

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货号 (SKU)	包装规格	是否现货	价格	数量
G610613-5mg	5mg	期货
G610613-25mg	25mg	期货

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基本描述

RORC Tchem 核受体ROR-gamma(Nuclear receptor ROR-gamma) (2 活性数据)

点击查看靶蛋白信息： RORC

活性类型	活性值-log(M)	作用机制	期刊	参考文献(PubMed IDs)

PBMC (10003 活性数据)

点击查看此靶标相关信息

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

RORA Tchem Nuclear receptor ROR-alpha (562 活性数据)

点击查看靶蛋白信息： RORA

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 活性数据)

点击查看靶蛋白信息： Rorc

活性类型	Relation	Activity value	Units	Action Type	期刊	PubMed Id	doi	Assay Aladdin ID

作用机制	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	参考文献

分子类型	未知
IIUPAC Name	1-[4-[3-fluoro-4-[[(3S,6R)-3-methyl-1,1-dioxo-6-phenylthiazinan-2-yl]methyl]phenyl]piperazin-1-yl]ethanone
INCHI	1S/C24H30FN3O3S/c1-18-8-11-24(20-6-4-3-5-7-20)32(30,31)28(18)17-21-9-10-22(16-23(21)25)27-14-12-26(13-15-27)19(2)29/h3-7,9-10,16,18,24H,8,11-15,17H2,1-2H3/t18-,24+/m0/s1
InChi Key	WLCIIQPUMOJJOF-MHECFPHRSA-N
Smiles	C[C@H]1CC[C@@H](S(=O)(=O)N1Cc1ccc(cc1F)N1CCN(CC1)C(=O)C)c1ccccc1
Isomeric SMILES	C[C@H]1CC[C@@H](S(=O)(=O)N1CC2=C(C=C(C=C2)N3CCN(CC3)C(=O)C)F)C4=CC=CC=C4
PubChem CID	122379290

分子量	459.600 g/mol
XLogP3	3.000
氢键供体数Hydrogen Bond Donor Count	0
氢键受体数Hydrogen Bond Acceptor Count	6
可旋转键计数Rotatable Bond Count	4
精确质量Exact Mass	459.199 Da
单同位素质量Monoisotopic Mass	459.199 Da
拓扑极表面积Topological Polar Surface Area	69.300 Å²
重原子数Heavy Atom Count	32
形式电荷Formal Charge	0
复杂度Complexity	744.000
同位素原子数Isotope Atom Count	0
定义的原子立体中心计数Defined Atom Stereocenter Count	2
未定义的原子立体中心计数Undefined Atom Stereocenter Count	0
定义的键立体中心计数Defined Bond Stereocenter Count	0
未定义的键立体中心计数Undefined Bond Stereocenter Count	0
所有立体化学键的总数The total count of all stereochemical bonds	0
共价键合单元计数Covalently-Bonded Unit Count	1

C of A & Other Certificates(BSE/TSE, COO):

输入批号以搜索分析图谱:

1. Fauber BP, René O, Deng Y, DeVoss J, Eidenschenk C, Everett C, Ganguli A, Gobbi A, Hawkins J, Johnson AR et al.. (2015) Discovery of 1-{4-[3-fluoro-4-((3s,6r)-3-methyl-1,1-dioxo-6-phenyl-[1,2]thiazinan-2-ylmethyl)-phenyl]-piperazin-1-yl}-ethanone (GNE-3500): a potent, selective, and orally bioavailable retinoic acid receptor-related orphan receptor C (RORc or RORγ) inverse agonist.. J Med Chem, 58 (13): (5308-22). [PMID:26061388]
2. Skepner J, Ramesh R, Trocha M, Schmidt D, Baloglu E, Lobera M, Carlson T, Hill J, Orband-Miller LA, Barnes A et al.. (2014) Pharmacologic inhibition of RORγt regulates Th17 signature gene expression and suppresses cutaneous inflammation in vivo.. J Immunol, 192 (6): (2564-75). [PMID:24516202]
3. Smith SH, Peredo CE, Takeda Y, Bui T, Neil J, Rickard D, Millerman E, Therrien JP, Nicodeme E, Brusq JM et al.. (2016) Development of a Topical Treatment for Psoriasis Targeting RORγ: From Bench to Skin.. PLoS ONE, 11 (2): (e0147979). [PMID:26870941]