小分子和化合物库

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显示第112个,产品总数50

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  1. SR 142948,NTS受体拮抗剂
      规格或纯度 :
    • ≥97%(HPLC)
    CAS号 : 184162-64-9        Compound CID : 5311451
    分子式: C39H51N5O6        分子量: 685.86
    IUPAC Name: 2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methylcarbamoyl]-2-propan-2-ylphenyl]pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid
    SMILES: CC(C)C1=C(C=CC(=C1)C(=O)N(C)CCCN(C)C)N2C(=CC(=N2)C(=O)NC3(C4CC5CC(C4)CC3C5)C(=O)O)C6=C(C=CC=C6OC)OC
    InChIKey: LWULHXVBLMWCHO-UHFFFAOYSA-N
    InChI: InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
  2. Autophinib,VPS34抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1644443-47-9        Compound CID : 129626605
    分子式: C14H11ClN6O3        分子量: 346.73
    IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine
    SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])Cl
    InChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
  3. KU 60019
      规格或纯度 :
    • ≥98%
    CAS号 : 925701-46-8        Compound CID : 15953870
    分子式: C30H33N3O5S        分子量: 547.67
    IUPAC Name: 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide
    SMILES: CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6
    InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-N
    InChI: InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+
  4. SBI-553
    CAS号 : 1849603-72-0        Compound CID : 118610427
    分子式: C26H31FN4O2        分子量: 450.5
    IUPAC Name: 2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
    SMILES: CN(CCO)C1=CC2=C(C=C1)N=C(N=C2N3CCC(CC3)C4=CC=CC=C4OC)C5(CC5)F
    InChIKey: BLWXTJQMEBQCIZ-UHFFFAOYSA-N
    InChI: InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3
  5. ML162
      规格或纯度 :
    • ≥98%
    CAS号 : 1035072-16-2        Compound CID : 3689413
    分子式: C23H22Cl2N2O3S        分子量: 477.4
    IUPAC Name: 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
    SMILES: COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl
    InChIKey: UNVKYJSNMVDZJE-UHFFFAOYSA-N
    InChI: InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
  6. VPS34抑制剂1(化合物19)
      规格或纯度 :
    • ≥98%
    CAS号 : 1383716-46-8        Compound CID : 67983918
    分子式: C21H25N7O        分子量: 391.47
    IUPAC Name: 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
    SMILES: CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
    InChIKey: XJTIGGCBXFIZJV-UHFFFAOYSA-N
    InChI: InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
  7. Autophinib
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1644443-47-9        Compound CID : 129626605
    分子式: C14H11ClN6O3        分子量: 346.73
    IUPAC Name: 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine
    SMILES: CC1=CC(=NN1)NC2=CC(=NC(=N2)OC3=CC=C(C=C3)[N+](=O)[O-])Cl
    InChIKey: CEUMAXLRGBKFQP-UHFFFAOYSA-N
    InChI: InChI=1S/C14H11ClN6O3/c1-8-6-13(20-19-8)17-12-7-11(15)16-14(18-12)24-10-4-2-9(3-5-10)21(22)23/h2-7H,1H3,(H2,16,17,18,19,20)
  8. ML162
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1035072-16-2        Compound CID : 3689413
    分子式: C23H22Cl2N2O3S        分子量: 477.4
    IUPAC Name: 2-(3-chloro-N-(2-chloroacetyl)-4-methoxyanilino)-N-(2-phenylethyl)-2-thiophen-2-ylacetamide
    SMILES: COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl
    InChIKey: UNVKYJSNMVDZJE-UHFFFAOYSA-N
    InChI: InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)
  9. VPS34抑制剂1(化合物19)
      规格或纯度 :
    • 10mM in DMSO
    CAS号 : 1383716-46-8        Compound CID : 67983918
    分子式: C21H25N7O        分子量: 391.47
    IUPAC Name: 1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
    SMILES: CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
    InChIKey: XJTIGGCBXFIZJV-UHFFFAOYSA-N
    InChI: InChI=1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)(H,22,23,26,27)
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