按“信号通路”分类 - 小分子和化合物库

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4-甲基伞形酮-β-D-葡糖苷
- ≥99%
CAS号: 18997-57-4 EC号: 242-736-7

分子式: C₁₆H₁₈O₈ 分子量: 338.31

IUPAC Name: 4-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O

InChIKey: YUDPTGPSBJVHCN-YMILTQATSA-N

InChI: 1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
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美索巴莫
- ≥98%
CAS号: 532-03-6

分子式: C₁₁H₁₅NO₅ 分子量: 241.24

IUPAC Name: [2-hydroxy-3-(2-methoxyphenoxy)propyl] carbamate

SMILES: COC1=CC=CC=C1OCC(COC(=O)N)O

InChIKey: GNXFOGHNGIVQEH-UHFFFAOYSA-N

InChI: 1S/C11H15NO5/c1-15-9-4-2-3-5-10(9)16-6-8(13)7-17-11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)
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尼罗替尼 (AMN-107)
- ≥99%
CAS号: 641571-10-0

分子式: C₂₈H₂₂F₃N₇O 分子量: 529.53

IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChIKey: HHZIURLSWUIHRB-UHFFFAOYSA-N

InChI: 1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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PHA-767491,双重Cdc7和Cdk9激酶抑制剂
- ≥98%
CAS号: 845714-00-3

分子式: C₁₂H₁₁N₃O 分子量: 213.24

IUPAC Name: 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

SMILES: C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3

InChIKey: DKXHSOUZPMHNIZ-UHFFFAOYSA-N

InChI: 1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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普纳替尼 (AP24534)
- ≥99%
CAS号: 943319-70-8

分子式: C₂₉H₂₇F₃N₆O 分子量: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: 1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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索拉非尼
- ≥99%
CAS号: 284461-73-0

分子式: C₂₁H₁₆ClF₃N₄O₃ 分子量: 464.83

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

InChI: 1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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托吡酯
- ≥98%
CAS号: 97240-79-4 Compound CID : 5284627

分子式: C₁₂H₂₁NO₈S 分子量: 339.36

IUPAC Name: [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate

SMILES: CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N)C

InChIKey: KJADKKWYZYXHBB-XBWDGYHZSA-N

InChI: 1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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三氯噻嗪
- ≥98%
CAS号: 133-67-5 EC号: 205-118-8 Compound CID : 5560

分子式: C₈H₈Cl₃N₃O₄S₂ 分子量: 380.66

IUPAC Name: 6-chloro-3-(dichloromethyl)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

SMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl

InChIKey: LMJSLTNSBFUCMU-UHFFFAOYSA-N

InChI: 1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)
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U-104,碳酸酐酶（CA）IX和XII抑制剂
- ≥98%
CAS号: 178606-66-1 Compound CID : 310360

分子式: C₁₃H₁₂FN₃O₃S 分子量: 309.32

IUPAC Name: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea

SMILES: C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F

InChIKey: YJQZNWPYLCNRLP-UHFFFAOYSA-N

InChI: 1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
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布林佐胺
- ≥98%
CAS号: 138890-62-7 EC号: 620-511-8

分子式: C₁₂H₂₁N₃O₅S₃ 分子量: 383.51

IUPAC Name: (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

SMILES: CCNC1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC

InChIKey: HCRKCZRJWPKOAR-JTQLQIEISA-N

InChI: 1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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3,5-二羟基苯甲酸
- ≥97%
CAS号: 99-10-5 EC号: 202-730-7

分子式: C₇H₆O₄ 分子量: 154.12

IUPAC Name: 3,5-dihydroxybenzoic acid

SMILES: C1=C(C=C(C=C1O)O)C(=O)O

InChIKey: UYEMGAFJOZZIFP-UHFFFAOYSA-N

InChI: 1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
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2,4-二氯-5-磺酰胺基苯甲酸
- ≥98%(HPLC)(T)
CAS号: 2736-23-4

分子式: C₇H₅Cl₂NO₄S 分子量: 270.09

IUPAC Name: 2,4-dichloro-5-sulfamoylbenzoic acid

SMILES: C1=C(C(=CC(=C1S(=O)(=O)N)Cl)Cl)C(=O)O

InChIKey: ZSHHRBYVHTVRFK-UHFFFAOYSA-N

InChI: 1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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