按“信号通路”分类 - 小分子和化合物库

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咯利普兰
- ≥97%
CAS号: 61413-54-5 EC号: 262-771-1 Compound CID : 5092

分子式: C₁₆H₂₁NO₃ 分子量: 275.34

IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

SMILES: COC1=C(C=C(C=C1)C2CC(=O)NC2)OC3CCCC3

InChIKey: HJORMJIFDVBMOB-UHFFFAOYSA-N

InChI: 1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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木犀草苷
- ≥98%
CAS号: 5373-11-5 EC号: 226-365-8

分子式: C₂₁H₂₀O₁₁ 分子量: 448.38

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

SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

InChIKey: PEFNSGRTCBGNAN-QNDFHXLGSA-N

InChI: 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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木犀草苷
- ≥98%(HPLC)
CAS号: 5373-11-5 EC号: 226-365-8

分子式: C₂₁H₂₀O₁₁ 分子量: 448.38

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

SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

InChIKey: PEFNSGRTCBGNAN-QNDFHXLGSA-N

InChI: 1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
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达马莫德
- ≥99%
CAS号: 285983-48-4

分子式: C₃₁H₃₇N₅O₃ 分子量: 527.67

IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea

SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5

InChIKey: MVCOAUNKQVWQHZ-UHFFFAOYSA-N

InChI: 1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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D-赤型鞘氨醇-1-磷酸
- ≥98%
CAS号: 26993-30-6

分子式: C₁₈H₃₈NO₅P 分子量: 379.472

IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate

SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O

InChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-N

InChI: 1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
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Ponesimod,磷酸鞘氨醇受体激动剂
- ≥97%
CAS号: 854107-55-4 Compound CID : 11363176

分子式: C23H25ClN2O4S 分子量: 460.974

IUPAC Name: (5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one

SMILES: CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C

InChIKey: LPAUOXUZGSBGDU-ULCCENQXSA-N

InChI: 1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
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塞拉非莫德
- ≥97%
CAS号: 891859-12-4

分子式: C₂₇H₃₃NO₄ 分子量: 435.564

IUPAC Name: 1-[[6-[(2-methoxy-4-propylphenyl)methoxy]-1-methyl-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid

SMILES: CCCC1=CC(=C(C=C1)COC2=CC3=C(C=C2)C(=C(CC3)CN4CC(C4)C(=O)O)C)OC

InChIKey: QDDQIPUKAXBMBX-UHFFFAOYSA-N

InChI: 1S/C27H33NO4/c1-4-5-19-6-7-22(26(12-19)31-3)17-32-24-10-11-25-18(2)21(9-8-20(25)13-24)14-28-15-23(16-28)27(29)30/h6-7,10-13,23H,4-5,8-9,14-17H2,1-3H3,(H,29,30)
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芬戈莫德
- ≥97%
CAS号: 162359-55-9

分子式: C₁₉H₃₃NO₂ 分子量: 307.47

IUPAC Name: 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol

SMILES: CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N

InChIKey: KKGQTZUTZRNORY-UHFFFAOYSA-N

InChI: 1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3
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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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CYM 50308,S1P4激动剂
- ≥97%
CAS号: 1345858-76-5 Compound CID : 49835928

分子式: C₂₀H₂₁F₂N₃O₂S 分子量: 405.46

IUPAC Name: (5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one

SMILES: CC1=CC(=C(N1C2=C(C=C(C=C2)F)F)C)C=C3C(=O)N(C(=NCCOC)S3)C

InChIKey: BKQZKTRCUAWRHT-ONBPWHQPSA-N

InChI: 1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20?
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CYM 50260,S1P4激动剂
- ≥98%(HPLC)
CAS号: 1355026-60-6

分子式: C₁₄H₁₁Cl₃FNO₂ 分子量: 350.6

IUPAC Name: 2-chloro-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-(fluoromethyl)pyridine

SMILES: C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)CF)Cl

InChIKey: FHPOTBQOUBMMCI-UHFFFAOYSA-N

InChI: 1S/C14H11Cl3FNO2/c15-9-1-3-12(11(16)7-9)20-5-6-21-13-4-2-10(8-18)19-14(13)17/h1-4,7H,5-6,8H2
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CS 2100,S1P1激动剂
- ≥97%(HPLC)
CAS号: 913827-99-3

分子式: C₂₅H₂₃N₃O₄S 分子量: 461.53

IUPAC Name: 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]azetidine-3-carboxylic acid

SMILES: CCC1=C(SC(=C1)CN2CC(C2)C(=O)O)C3=NOC(=N3)C4=CC=C(C=C4)OC5=CC=CC=C5

InChIKey: DWVJASHDNJMDNH-UHFFFAOYSA-N

InChI: 1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30)
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