小分子和化合物库

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显示第112个,产品总数185

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  1. AP26113
      规格或纯度 :
    • ≥98%
    CAS号 : 1197958-12-5        Compound CID : 57390074
    分子式: C26H34ClN6O2P        分子量: 529.01
    IUPAC Name: 5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
    SMILES: CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC
    InChIKey: OVDSPTSBIQCAIN-UHFFFAOYSA-N
    InChI: InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)
  2. AR-42,HDAC抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 935881-37-1        Compound CID : 6918848
    分子式: C18H20N2O3        分子量: 312.36
    IUPAC Name: N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
    SMILES: CC(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
    InChIKey: LAMIXXKAWNLXOC-INIZCTEOSA-N
    InChI: InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
  3. PCI-34051,HDAC8抑制剂
      规格或纯度 :
    • ≥98%
    CAS号 : 950762-95-5        Compound CID : 24753719
    分子式: C17H16N2O3        分子量: 296.32
    IUPAC Name: N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamide
    SMILES: COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO
    InChIKey: AJRGHIGYPXNABY-UHFFFAOYSA-N
    InChI: InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
  4. GSK1904529A,IGF-1R / IR酪氨酸激酶抑制剂
    CAS号 : 1089283-49-7        Compound CID : 25124816
    分子式: C44H47F2N9O5S        分子量: 851.96
    IUPAC Name: N-(2,6-difluorophenyl)-5-[3-[2-[5-ethyl-2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
    SMILES: CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F
    InChIKey: MOSKATHMXWSZTQ-UHFFFAOYSA-N
    InChI: InChI=1S/C44H47F2N9O5S/c1-5-28-26-35(38(60-3)27-36(28)53-19-15-30(16-20-53)52-21-23-54(24-22-52)61(4,57)58)49-44-47-17-14-34(48-44)42-40(50-39-11-6-7-18-55(39)42)29-12-13-37(59-2)31(25-29)43(56)51-41-32(45)9-8-10-33(41)46/h6-14,17-18,25-27,30H,5,15-16,19-24H2,1-4H3,(H,51,56)(H,47,48,49)
  5. 组胺
    CAS号 : 51-45-6        Compound CID : 774
    分子式: C5H9N3        分子量: 111.15
    IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine
    SMILES: C1=C(NC=N1)CCN
    InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N
    InChI: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
  6. Imetit 二氢溴酸盐
      规格或纯度 :
    • ≥95%
    CAS号 : 32385-58-3        Compound CID : 11957573
    分子式: C6H10N4S.2HBr        分子量: 332.06
    IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide
    SMILES: C1=C(NC=N1)CCSC(=N)N.Br.Br
    InChIKey: DOBOYMKCRRLTRF-UHFFFAOYSA-N
    InChI: InChI=1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H
  7. 碘苯丙酮二氢溴化物
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 145196-87-8        Compound CID : 24978528
    分子式: C15H19IN4S•2HBr        分子量: 576.13
    IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromide
    SMILES: C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br
    InChIKey: BOSOGNBLIWPCMS-UHFFFAOYSA-N
    InChI: InChI=1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H
  8. Impentamine dihydrobromide,H3拮抗剂
    CAS号 : 149629-70-9        Compound CID : 53439849
    分子式: C8H15N3•2HBr        分子量: 315.05
    IUPAC Name: 5-(1H-imidazol-5-yl)pentan-1-amine;dihydrobromide
    SMILES: C1=C(NC=N1)CCCCCN.Br.Br
    InChIKey: QSDXAAWBBPWGEL-UHFFFAOYSA-N
    InChI: InChI=1S/C8H15N3.2BrH/c9-5-3-1-2-4-8-6-10-7-11-8;;/h6-7H,1-5,9H2,(H,10,11);2*1H
  9. BRD 73954,双组蛋白脱乙酰基酶(HDAC)6/8抑制剂
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 1440209-96-0        Compound CID : 71680913
    分子式: C16H16N2O3        分子量: 284.31
    IUPAC Name: 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
    SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(=O)NO
    InChIKey: FIHKWEQJEDRIFS-UHFFFAOYSA-N
    InChI: InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
  10. BF 2649 盐酸盐
      规格或纯度 :
    • ≥98%(HPLC)
    CAS号 : 903576-44-3        Compound CID : 11551689
    分子式: C17H26ClNO.HCl        分子量: 332.31
    IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride
    SMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl.Cl
    InChIKey: XLFKECRRMPOAQS-UHFFFAOYSA-N
    InChI: InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
  11. N-去甲基洛哌丁胺
      规格或纯度 :
    • ≥98%
    CAS号 : 66164-07-6        Compound CID : 9805944
    分子式: C28H31ClN2O2        分子量: 463.01
    IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide
    SMILES: CNC(=O)C(CCN1CCC(CC1)(C2=CC=C(C=C2)Cl)O)(C3=CC=CC=C3)C4=CC=CC=C4
    InChIKey: ZMOPTLXEYOVARP-UHFFFAOYSA-N
    InChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)
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