1044535-61-6 ((4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride,Dagrocorat hydrochloride)

结构式：

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochlorideMOL文件

CAS号：

1044535-61-6

中文名称：

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride

英文名称：

Dagrocorat hydrochloride

分子式：

C₂₉H₃₀ClF₃N₂O₂

分子量：

531.008917331696

简介：

Dagrocorat (PF-00251802) hydrochloride 是一种具有口服活性，选择性和高亲和性部分糖皮质激素受体的激动剂。Dagrocorat hydrochloride 也是一种时间依赖性可逆抑制剂，对 CYP3A (IC50=1.3 μM) 和CYP2D6 (Ki=0.57 μM) 有抑制作用。Dagrocorat hydrochloride 可用于类风湿性关节炎的研究。

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride(1044535-61-6)名称与标识符

名称

中文别名：

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride;

英文别名：

VL45KV749O;Q27291876;(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-;PF-0251802 hydrochloride;Dagrocorat hydrochloride;AKOS040753466;G18559;(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-2-carboxamide hydrochloride;MS-29822;PF-0251802 HCl;2-Phenanthrenecarboxamide, 4b,5,6,7,8,8a,9,10-octahydro-7-hydroxy-N-(2-methyl-3-pyridinyl)-4b-(phenylmethyl)-7-(trifluoromethyl)-, hydrochloride (1:1), (4bS,7R,8aR)-;CS-0063019;(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide;hydrochloride;1044535-61-6;UNII-VL45KV749O;Dagrocorat (hydrochloride);1044535-61-6 (HCl);HY-16718A;DA-62644;

标识符

InChIKey：

IHLZSINDEDTWTB-KKVPRZDISA-N

Inchi：

1S/C29H29F3N2O2.ClH/c1-19-25(8-5-15-33-19)34-26(35)22-10-12-24-21(16-22)9-11-23-18-28(36,29(30,31)32)14-13-27(23,24)17-20-6-3-2-4-7-20;/h2-8,10,12,15-16,23,36H,9,11,13-14,17-18H2,1H3,(H,34,35);1H/t23-,27+,28-;/m1./s1

SMILES：

Cl.FC([C@]1(CC[C@@]2(CC3C=CC=CC=3)C3C=CC(C(NC4=CC=CN=C4C)=O)=CC=3CC[C@@H]2C1)O)(F)F

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride(1044535-61-6)物化性质

计算特性

精确分子量 : 530.1947904g/mol
氢键供体数量 : 3
氢键受体数量 : 6
可旋转化学键数量 : 4
同位素质量 : 530.1947904g/mol
重原子数量 : 37
复杂度 : 785
同位素原子数量 : 0
确定原子立构中心数量 : 3
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 2
拓扑分子极性表面积 : 62.2

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride(1044535-61-6)安全信息

储存条件： Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
信号词： Warning

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride(1044535-61-6)国际标准相关数据

EINECS：

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride(1044535-61-6)推荐厂家更多厂家(3)

公司名称	手机号/电话	联系人	QQ	询单
MedChemExpress（MCE 中国）	13611715263 021-58955995	MCE生命科学试剂	2881321772	询单
上海源溪生物科技有限公司	13564518121	李经理	1724405207	询单
上海阿拉丁生化科技股份有限公司	13167063860 13167063860	阿拉丁	3004013043	询单

(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride(1044535-61-6)参考资料

Reaxys RN：

PubChem CID：

25157943

82304-66-3(7,9-二叔丁基-1-氧杂螺[4.5]癸-6,9-二烯-2,8-二酮) 82278-33-9(1-对甲苯环戊烷羰酰氯) 82337-14-2((5Z)-7-[(1α,4α)-3β-[(1E,3S)-3-Hydroxy-1-octenyl]-7-oxabicyclo[2.2.1]heptane-2α-yl]-5-heptenoic acid) 82354-36-7(1,5-Dihydroxy-3-methoxy-10-methyl-4-(3-methyl-2-butenyl)acridin-9(10H)-one) 824409-64-5(4-PIPERAZIN-1-YL-2-TRIFLUOROMETHYL-BENZONITRILE HYDROCHLORIDE) 82430-11-3(dimethyloctanoic acid) 82475-00-1(2-（2,6-二羟基苯基）-5,7-二羟基-4H-色烯-4-酮) 82520-38-5(4-ETHYL-2'-METHOXYBENZOPHENONE)

960化工网为您提供(4bS,7R,8aR)-4b-benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-5,6,8,8a,9,10-hexahydrophenanthrene-2-carboxamide,hydrochloride专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.1044535-61-6,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:1044535-61-6 国际站:1044535-61-6