按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥98%(N), ≥98.4%, ≥92%

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腺苷-5'-二磷酸钠盐
- ≥98%(N)
CAS号 : 16178-48-6 Compound CID : 85315

分子式: C₁₀H₁₃N₅Na₂O₁₀P₂ 分子量: 471.16

IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]

InChIKey: ORKSTPSQHZNDSC-IDIVVRGQSA-L

InChI: InChI=1S/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
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寡霉素
- ≥92%
CAS号 : 1404-19-9 Compound CID : 5281899

分子式: C₄₅H₇₄O₁₁ 分子量: 791.07(for Oligomycin A)

IUPAC Name: (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione

SMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C

InChIKey: MNULEGDCPYONBU-WMBHJXFZSA-N

InChI: InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1
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咪鲜安
- ≥98.4%
CAS号 : 67747-09-5 Compound CID : 73665

分子式: C₁₅H₁₆Cl₃N₃O₂ 分子量: 376.67

IUPAC Name: N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

SMILES: CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2

InChIKey: TVLSRXXIMLFWEO-UHFFFAOYSA-N

InChI: InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
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哌拉西林钠
- ≥98%(N)
CAS号 : 59703-84-3 Compound CID : 23666879

分子式: C₂₃H₂₆N₅NaO₇S 分子量: 539.54

IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]

InChIKey: WCMIIGXFCMNQDS-IDYPWDAWSA-M

InChI: InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1
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贝诺酯
- ≥98%(N)
CAS号 : 5003-48-5 Compound CID : 21102

分子式: C₁₇H₁₅NO₅ 分子量: 313.31

IUPAC Name: (4-acetamidophenyl) 2-acetyloxybenzoate

SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C

InChIKey: FEJKLNWAOXSSNR-UHFFFAOYSA-N

InChI: InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
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2,4-二氯-3,5-二甲基苯酚
- ≥92%
- Containing 6% isomer
CAS号 : 133-53-9 Compound CID : 8621

分子式: C₈H₈Cl₂O 分子量: 191.05

IUPAC Name: 2,4-dichloro-3,5-dimethylphenol

SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)O

InChIKey: IYOLBFFHPZOQGW-UHFFFAOYSA-N

InChI: InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
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5-乙炔基-2'-脱氧胞苷
- ≥98%(N)
CAS号 : 69075-47-4 Compound CID : 15036533

分子式: C₁₁H₁₃N₃O₄ 分子量: 251.24

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

SMILES: C#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O

InChIKey: HMJSYXIPNSASJY-DJLDLDEBSA-N

InChI: InChI=1S/C11H13N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h1,4,7-9,15-16H,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1
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2-苯基乙酰胺
- ≥98%(N)
CAS号 : 103-81-1 Compound CID : 7680

分子式: C₈H₉NO 分子量: 135.17

IUPAC Name: 2-phenylacetamide

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

InChIKey: LSBDFXRDZJMBSC-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
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普伐他汀内酯
- ≥92%
CAS号 : 85956-22-5 Compound CID : 9931182

分子式: C₂₃H₃₄O₆ 分子量: 406.51

IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)O

InChIKey: OQARDMYXSOFTLN-PZAWKZKUSA-N

InChI: InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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LYG-202
- ≥92%
CAS号 : 1175077-25-4 Compound CID : 44156930

分子式: C₂₅H₃₀N₂O₅ 分子量: 438.52

IUPAC Name: 5-hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one

SMILES: CN1CCN(CC1)CCCCOC2=C(C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=CC=C4)OC

InChIKey: ICGYSEWPMDWBIL-UHFFFAOYSA-N

InChI: InChI=1S/C25H30N2O5/c1-26-11-13-27(14-12-26)10-6-7-15-31-22-17-20(29)23-19(28)16-21(18-8-4-3-5-9-18)32-25(23)24(22)30-2/h3-5,8-9,16-17,29H,6-7,10-15H2,1-2H3
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磷酸肌酸
- ≥92%
CAS号 : 67-07-2

分子式: C₄H₁₀N₃O₅P 分子量: 211.11

IUPAC Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid

SMILES: CN(CC(=O)O)C(=NP(=O)(O)O)N

InChIKey: DRBBFCLWYRJSJZ-UHFFFAOYSA-N

InChI: InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
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4,4-二甲氧基-2-丁酮
- ≥92%
CAS号 : 5436-21-5 Compound CID : 228548

分子式: C₆H₁₂O₃ 分子量: 132.16

IUPAC Name: 4,4-dimethoxybutan-2-one

SMILES: CC(=O)CC(OC)OC

InChIKey: PJCCSZUMZMCWSX-UHFFFAOYSA-N

InChI: InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
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