496791-37-8
中文名称
(S)-6-[(3,5-二甲基-1H-吡唑-4-基)甲基]-5-[(4-羟基异唑烷-2-基)羰基]-1-异丁基-3-甲基噻吩并[2,3-D]嘧啶-2,4(1H,3H)-二酮
英文名称
(S)-6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4-hydroxyisoxazolidin-2-yl)carbonyl]-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CAS
496791-37-8
分子式
C21H27N5O5S
分子量
461.53
MOL 文件
496791-37-8.mol
更新日期
2026/11/09 08:35:05
496791-37-8 结构式
基本信息
中文别名
(S)-6-[(3,5-二甲基-1H-吡唑-4-基)甲基]-5-[(4-羟基异唑烷-2-基)羰基]-1-异丁基-3-甲基噻吩并[2,3-D]嘧啶-2,4(1H,3H)-二酮 英文别名
AR C15585AR-C 155858
AR-C155858
AR C155858
AR-C 155858
AR C15585
inhibit,AR-C155858,Inhibitor,Monocarboxylate Transporter,AR-C-155858,ARC155858,AR C155858
(S)-6-((3,5-dimethyl-1H-pyrazol-4-yl)methyl)-5-(4-hydroxyisoxazolidine-2-carbonyl)-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
(S)-6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[(4-hydroxyisoxazolidin-2-yl)carbonyl]-1-isobutyl-3-methylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
6-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-[[(4S)-4-hydroxy-2-isoxazolidinyl]carbonyl]-3-methyl-1-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione, 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-[[(4S)-4-hydroxy-2-isoxazolidinyl]carbonyl]-3-methyl-1-(2-methylpropyl)-
4-Isoxazolidinol, 2-[[6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydro-3-methyl- 1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidin-5-yl]carbonyl]-, (4S)-
所属类别
生物化工：激动剂抑制剂物理化学性质
熔点198-202∶C
沸点763.1±70.0 °C(Predicted)
密度1.395
储存条件-20°C储存
溶解度insoluble in H2O; ≥52.5 mg/mL in DMSO; ≥57.8 mg/mL in EtOH
酸度系数(pKa)13.53±0.20(Predicted)
形态固体
颜色白色
InChI1S/C21H27N5O5S/c1-10(2)7-25-20-17(18(28)24(5)21(25)30)16(19(29)26-8-13(27)9-31-26)15(32-20)6-14-11(3)22-23-12(14)4/h10,13,27H,6-9H2,1-5H3,(H,22,23)/t13-/m0/s1
InChIKeyISIVOJWVBJIOFM-ZDUSSCGKSA-N
SMILES[s]1c2[n]([c]([n]([c](c2c(c1Cc4c([nH]nc4C)C)C(=O)N3OC[C@H](C3)O)=O)C)=O)CC(C)C
