57132-53-3 (丙谷美辛,1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethylester)

CAS号:
57132-53-3
中文名称:
丙谷美辛
英文名称:
1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethylester
分子式:
C46H58ClN5O8
分子量:
844.434431552887
简介:
Proglumetacin 是一种口服有效的环加氧酶 (cyclo-oxygenase) 抑制剂。Proglumetacin 可以抑制 SARS-CoV Mpro (新冠病毒的主要蛋白酶),其 AC50 为 8.9 μM。Proglumetacin 具有抗炎活性,可用于炎症(如类风湿关节炎、过敏性气囊炎)的研究。

丙谷美辛(57132-53-3)名称与标识符

名称

中文别名:
丙谷美辛(解热镇痛药);氟米龙醋酸酯;普各洛美他辛;丙谷美辛;
英文别名:
1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethylester;Proglumetacin Dioxalate;1H-Indole-3-aceticacid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-,2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl];3-[4-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl]piperazin-1-yl]propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate;PROGLUMETACIN;Proglumetacina;Proglumetacine;Proglumetacinum;1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[4-[3-[[4-(benzoylamino)-5-(dipropylamino)-1,5-dioxopentyl]oxy]propyl]-1-piperazinyl]ethyl ester (9CI);Q2208070;NCGC00183024-01;CHEBI:76263;Proglumetacine [INN-French];PROGLUMETACIN [MI];DB13527;1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2-(4-(3-((4-(BENZOYLAMINO)-;SCHEMBL27106;DTXCID3028768;Proglumetacin (INN);A913226;NS00004776;PROGLUMETACIN [INN];1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-METHOXY-2-METHYL-, 2-(4-(3-((4-(BENZOYLAMINO)-5-(DIPROPYLAMINO)-1,5-DIOXOPENTYL)OXY)PROPYL)-1-PIPERAZINYL)ETHYL ESTER;5-(DIPROPYLAMINO)-1,5-DIOXOPENTYL)OXY)PROPYL)-1-PIPERAZINYL)ETHYL ESTER, (+/-)-;57132-53-3;FV919079LU;HY-106560;Bruxel (TN);Tox21_113325;Proglumetacina [INN-Spanish];Proglumetacinum [INN-Latin];UNII-FV919079LU;D08427;FT-0758237;PROGLUMETACIN [WHO-DD];Proglumetacin [INN:BAN];CHEMBL2105825;3-(4-(2-(2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)ethyl)piperazin-1-yl)propyl 4-benzamido-5-(dipropylamino)-5-oxopentanoate;DTXSID0048842;CS-0026053;3-[4-(2-{2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetoxy}ethyl)piperazin-1-yl]propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate;CAS-57132-53-3;3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl DL-4-benzamido-N,N-dipropylglutaramate 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate (ester);PTXGHCGBYMQQIG-UHFFFAOYSA-N;BRD-A19458515-001-01-2;3-{4-[2-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)ethyl]piperazin-1-yl}propyl 4-(dipropylcarbamoyl)-4-(phenylformamido)butanoate;SBI-0654187.0001;M01AB14;Proglumetacinum (INN-Latin);Proglumetacine (INN-French);Proglumetacina (INN-Spanish);Proglumetacina [Spanish];3-(4-(2-(2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)ethyl)piperazin-1-yl)propyl N(2)-benzoyl-N,N-dipropyl-alpha-glutaminate;3-(4-(2-((2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)oxy)ethyl)piperazin-1-yl)propyl 4-(dipropylcarbamoyl)-4-(phenylformamido)butanoate;

标识符

MDL:
MFCD00866080
InChIKey:
PTXGHCGBYMQQIG-UHFFFAOYSA-N
Inchi:
1S/C46H58ClN5O8/c1-5-21-51(22-6-2)46(57)40(48-44(55)34-11-8-7-9-12-34)18-20-42(53)59-29-10-23-49-24-26-50(27-25-49)28-30-60-43(54)32-38-33(3)52(41-19-17-37(58-4)31-39(38)41)45(56)35-13-15-36(47)16-14-35/h7-9,11-17,19,31,40H,5-6,10,18,20-30,32H2,1-4H3,(H,48,55)
SMILES:
ClC1C=CC(=CC=1)C(N1C2C=CC(=CC=2C(=C1C)CC(=O)OCCN1CCN(CCCOC(CCC(C(N(CCC)CCC)=O)NC(C2C=CC=CC=2)=O)=O)CC1)OC)=O

丙谷美辛(57132-53-3)物化性质

实验特性

  • LogP : 6.43090
  • PSA : 139.72000
  • 折射率 : 1.592
  • 沸点 : 900.4 °C at 760 mmHg
  • 熔点 : 149-151°C
  • 闪点 : 498.3 °C
  • 密度 : 1.22

计算特性

  • 精确分子量 : 843.39700
  • 氢键供体数量 : 1
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 23
  • 同位素质量 : 843.397
  • 重原子数量 : 60
  • 复杂度 : 1360
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 7.3
  • 拓扑分子极性表面积 : 140A^2

丙谷美辛(57132-53-3)推荐厂家 更多厂家(3)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
询单
武汉海佳尔公司 18271092532
027-87186385
黄经理 3616484644 询单
武汉海佳尔生物医药有限公司 18171451055
027-87186380
董先生 1531603537 询单