按“信号通路”分类 - 小分子和化合物库

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5-氮杂-2'-脱氧胞苷
- ≥98%
CAS号: 2353-33-5 EC号: 219-089-4

分子式: C₈H₁₂N₄O₄ 分子量: 228.21

IUPAC Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

SMILES: C1C(C(OC1N2C=NC(=NC2=O)N)CO)O

InChIKey: XAUDJQYHKZQPEU-KVQBGUIXSA-N

InChI: 1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
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RG108,新型非核苷DNA甲基转移酶抑制剂（DNMT）
- ≥98%
CAS号: 48208-26-0 Compound CID : 702558

分子式: C₁₉H₁₄N₂O₄ 分子量: 334.33

IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid

SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O

InChIKey: HPTXLHAHLXOAKV-INIZCTEOSA-N

InChI: 1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)/t16-/m0/s1
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S-(5’-腺苷)-L-高半胱氨酸（SAH）
- ≥98%
CAS号: 979-92-0 EC号: 213-560-8 Compound CID : 439155

分子式: C₁₄H₂₀N₆O₅S 分子量: 384.41

IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N

InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N

InChI: 1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
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巴马司他
- ≥98%
CAS号: 130370-60-4

分子式: C₂₃H₃₁N₃O₄S₂ 分子量: 477.64

IUPAC Name: (2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide

SMILES: CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChIKey: XFILPEOLDIKJHX-QYZOEREBSA-N

InChI: 1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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CTS-1027,MMP 抑制剂
- ≥99%
CAS号: 193022-04-7

分子式: C₁₉H₂₀ClNO₆S 分子量: 425.88

IUPAC Name: 4-[[4-(4-chlorophenoxy)phenyl]sulfonylmethyl]-N-hydroxyoxane-4-carboxamide

SMILES: C1COCCC1(CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)C(=O)NO

InChIKey: ROSNVSQTEGHUKU-UHFFFAOYSA-N

InChI: 1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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(-)-表没食子儿茶素没食子酸酯
CAS号: 989-51-5

分子式: C₂₂H₁₈O₁₁ 分子量: 458.37

IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

InChI: 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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(-)-表没食子儿茶素没食子酸酯
- ≥98%
CAS号: 989-51-5

分子式: C₂₂H₁₈O₁₁ 分子量: 458.37

IUPAC Name: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChIKey: WMBWREPUVVBILR-WIYYLYMNSA-N

InChI: 1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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5-氮胞苷
- ≥98%
CAS号: 320-67-2 EC号: 206-280-2

分子式: C₈H₁₂N₄O₅ 分子量: 244.2

IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one

SMILES: C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N

InChIKey: NMUSYJAQQFHJEW-KVTDHHQDSA-N

InChI: 1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
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GI254023X,ADAM10金属蛋白酶抑制剂
- ≥98%(HPLC)
CAS号: 260264-93-5 Compound CID : 9952396

分子式: C₂₁H₃₃N₃O₄ 分子量: 391.5

IUPAC Name: (2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-1-[formyl(hydroxy)amino]ethyl]-5-phenylpentanamide

SMILES: CC(C(CCCC1=CC=CC=C1)C(=O)NC(C(=O)NC)C(C)(C)C)N(C=O)O

InChIKey: GHVMTHKJUAOZJP-CGTJXYLNSA-N

InChI: 1S/C21H33N3O4/c1-15(24(28)14-25)17(13-9-12-16-10-7-6-8-11-16)19(26)23-18(20(27)22-5)21(2,3)4/h6-8,10-11,14-15,17-18,28H,9,12-13H2,1-5H3,(H,22,27)(H,23,26)/t15-,17+,18+/m0/s1
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马立马司他
- ≥99%
CAS号: 154039-60-8

分子式: C₁₅H₂₉N₃O₅ 分子量: 331.41

IUPAC Name: (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide

SMILES: CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C

InChIKey: OCSMOTCMPXTDND-OUAUKWLOSA-N

InChI: 1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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泼尼松龙
- ≥98%
CAS号: 50-24-8

分子式: C₂₁H₂₈O₅ 分子量: 360.44

IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

SMILES: CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O

InChIKey: OIGNJSKKLXVSLS-VWUMJDOOSA-N

InChI: 1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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GM 6001,广谱MMP抑制剂
- ≥98%
CAS号: 142880-36-2

分子式: C₂₀H₂₈N₄O₄ 分子量: 388.5

IUPAC Name: (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide

SMILES: CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC

InChIKey: NITYDPDXAAFEIT-DYVFJYSZSA-N

InChI: 1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
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