HBV - 抗感染 - 按“信号通路”分类 - 小分子和化合物库

土槿皮乙酸

规格或纯度 :

≥98%

CAS号 : 82508-31-4 Compound CID : 71307573

分子式: C₂₃H₂₈O₈ 分子量: 432.464

IUPAC Name: (2E,4E)-5-[(1S,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid

SMILES: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)O

InChIKey: VDGOFNMYZYBUDT-YCONPBHISA-N

InChI: InChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22-,23-/m0/s1

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土槿皮乙酸

规格或纯度 :

≥98%

CAS号 : 82508-31-4 Compound CID : 71307573

分子式: C₂₃H₂₈O₈ 分子量: 432.464

IUPAC Name: (2E,4E)-5-[(1S,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid

SMILES: CC(=CC=CC1(C2CCC3(C2(CCC(=CC3)C(=O)OC)OC(=O)C)C(=O)O1)C)C(=O)O

InChIKey: VDGOFNMYZYBUDT-YCONPBHISA-N

InChI: InChI=1S/C23H28O8/c1-14(18(25)26)6-5-10-21(3)17-9-12-22(20(28)31-21)11-7-16(19(27)29-4)8-13-23(17,22)30-15(2)24/h5-7,10,17H,8-9,11-13H2,1-4H3,(H,25,26)/b10-5+,14-6+/t17-,21+,22-,23-/m0/s1

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氯化十六烷基吡啶

规格或纯度 :

≥98%

CAS号 : 123-03-5 Compound CID : 31239

分子式: C₂₁H₃₈N.Cl 分子量: 339.991

IUPAC Name: 1-hexadecylpyridin-1-ium;chloride

SMILES: CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]

InChIKey: YMKDRGPMQRFJGP-UHFFFAOYSA-M

InChI: InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1

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盐酸阿霉素

规格或纯度 :

Moligand™

≥98%

CAS号 : 25316-40-9 Compound CID : 443939

分子式: C₂₇H₂₉NO₁₁·HCl 分子量: 579.98

IUPAC Name: (7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl

InChIKey: MWWSFMDVAYGXBV-RUELKSSGSA-N

InChI: InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1

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泛昔洛韦

规格或纯度 :

Moligand™

≥98%

CAS号 : 104227-87-4 Compound CID : 3324

分子式: C₁₄H₁₉N₅O₄ 分子量: 321.33

IUPAC Name: [2-(acetyloxymethyl)-4-(2-aminopurin-9-yl)butyl] acetate

SMILES: CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C

InChIKey: GGXKWVWZWMLJEH-UHFFFAOYSA-N

InChI: InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)

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4-羟基苯乙酮

规格或纯度 :

≥98%

CAS号 : 99-93-4 Compound CID : 7469

分子式: C₈H₈O₂ 分子量: 136.15

IUPAC Name: 1-(4-hydroxyphenyl)ethanone

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

InChIKey: TXFPEBPIARQUIG-UHFFFAOYSA-N

InChI: InChI=1S/C8H8O2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3

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2-羟基-N-(4-羟基苯基)苯甲酰胺

规格或纯度 :

≥98%

CAS号 : 526-18-1 Compound CID : 4602

分子式: C₁₃H₁₁NO₃ 分子量: 229.238

IUPAC Name: 2-hydroxy-N-(4-hydroxyphenyl)benzamide

SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O

InChIKey: LGCMKPRGGJRYGM-UHFFFAOYSA-N

InChI: InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)

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恩替卡韦

规格或纯度 :

≥98%

CAS号 : 142217-69-4 Compound CID : 135398508

分子式: C₁₂H₁₅N₅O₃ 分子量: 277.3

IUPAC Name: 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one

SMILES: C=C1C(CC(C1CO)O)N2C=NC3=C2N=C(NC3=O)N

InChIKey: QDGZDCVAUDNJFG-FXQIFTODSA-N

InChI: InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7-,8-/m0/s1

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(S)-替诺福韦

规格或纯度 :

≥98%

CAS号 : 147127-19-3 Compound CID : 122767

分子式: C₉H₁₄N₅O₄P 分子量: 287.21

IUPAC Name: [(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid

SMILES: CC(CN1C=NC2=C(N=CN=C21)N)OCP(=O)(O)O

InChIKey: SGOIRFVFHAKUTI-LURJTMIESA-N

InChI: InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m0/s1

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异绿原酸A

规格或纯度 :

≥98%

CAS号 : 2450-53-5 Compound CID : 6474310

分子式: C₂₅H₂₄O₁₂ 分子量: 516.45

IUPAC Name: (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O

InChIKey: KRZBCHWVBQOTNZ-RDJMKVHDSA-N

InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1

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Bay 41-4109 racemate

规格或纯度 :

≥98%

CAS号 : 298708-79-9 Compound CID : 9865484

分子式: C₁₈H₁₃ClF₃N₃O₂ 分子量: 395.76

IUPAC Name: methyl 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate

SMILES: CC1=C(C(N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)OC

InChIKey: FVNJBPMQWSIGJK-UHFFFAOYSA-N

InChI: InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)

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伊那里奇韦

规格或纯度 :

≥98%

CAS号 : 475650-36-3 Compound CID : 6912016

分子式: C₂₀H₂₆N₇O₁₀PS 分子量: 587.5

IUPAC Name: 1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione

SMILES: COC1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)O

InChIKey: LYMICVBGNUEHGE-FUQPUAIBSA-N

InChI: InChI=1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1

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