激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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GSK3787,不可逆的PPARδ拮抗剂
- ≥98%
CAS号 : 188591-46-0 Compound CID : 2800647

分子式: C₁₅H₁₂ClF₃N₂O₃S 分子量: 392.78

IUPAC Name: 4-chloro-N-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl]benzamide

SMILES: C1=CC(=CC=C1C(=O)NCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)Cl

InChIKey: JFUIMTGOQCQTPF-UHFFFAOYSA-N

InChI: InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22)
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VUF 11222,非肽CXCR3激动剂
- ≥98%
CAS号 : 1414376-84-3 Compound CID : 71459294

分子式: C₂₅H₃₁BrIN 分子量: 552.33

IUPAC Name: [4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium;iodide

SMILES: CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4Br)C.[I-]

InChIKey: IXXWHYDKYNWDKJ-IUQUCOCYSA-M

InChI: InChI=1S/C25H31BrN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1/t21-,23-;/m0./s1
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Elafibranor
- 10mM in DMSO
CAS号 : 923978-27-2(DMSO)

分子式: C₂₂H₂₄O₄S 分子量: 384.49

SMILES: CSC1=CC=C(C=C1)C(=O)\C=C\C2=CC(=C(OC(C)(C)C(O)=O)C(=C2)C)C
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GSK3787
- 10mM in DMSO
CAS号 : 188591-46-0(DMSO)

分子式: C₁₅H₁₂ClF₃N₂O₃S 分子量: 392.78

SMILES: FC(F)(F)C1=CC=C(N=C1)[S](=O)(=O)CCNC(=O)C2=CC=C(Cl)C=C2
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GW0742
- 10mM in DMSO
CAS号 : 317318-84-6(DMSO)

分子式: C₂₁H₁₇F₄NO₃S₂ 分子量: 471.49

SMILES: CC1=CC(=CC=C1OCC(O)=O)SCC2=C(C)N=C(S2)C3=CC=C(C(=C3)F)C(F)(F)F
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维生素A酸
- 10mM in DMSO
CAS号 : 302-79-4(DMSO)

分子式: C₂₀H₂₈O₂ 分子量: 300.4

SMILES: CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)C(C)(C)CCC1
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MA-0204
- ≥98%
CAS号 : 2095128-17-7 Compound CID : 126752361

分子式: C₂₅H₂₇F₃N₂O₄ 分子量: 476.49

IUPAC Name: (3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid

SMILES: CC1=CN=C(N1CC2=CC=CC=C2OCCCC(C)CC(=O)O)C3=CC=C(C=C3)OC(F)(F)F

InChIKey: GYNMVDMBFKGCCR-QGZVFWFLSA-N

InChI: InChI=1S/C25H27F3N2O4/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)34-25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
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AMG 487
- ≥98%
CAS号 : 473719-41-4 Compound CID : 24957182

分子式: C₃₂H₂₈F₃N₅O₄ 分子量: 603.59

IUPAC Name: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F

InChIKey: WQTKNBPCJKRYPA-OAQYLSRUSA-N

InChI: InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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AMG 487
- 10mM in DMSO
CAS号 : 473719-41-4 Compound CID : 24957182

分子式: C₃₂H₂₈F₃N₅O₄ 分子量: 603.59

IUPAC Name: N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

SMILES: CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2C(C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F

InChIKey: WQTKNBPCJKRYPA-OAQYLSRUSA-N

InChI: InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
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GSK0660
- 10mM in DMSO
CAS号 : 1014691-61-2 Compound CID : 46233311

分子式: C₁₉H₁₈N₂O₅S₂ 分子量: 418.49

IUPAC Name: methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate

SMILES: COC1=C(C=CC(=C1)NC2=CC=CC=C2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC

InChIKey: NDFKBGWLUHKMFY-UHFFFAOYSA-N

InChI: InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
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GW501516
- 10mM in DMSO
CAS号 : 317318-70-0 Compound CID : 9803963

分子式: C₂₁H₁₈F₃NO₃S₂ 分子量: 453.5

IUPAC Name: 2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid

SMILES: CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O

InChIKey: YDBLKRPLXZNVNB-UHFFFAOYSA-N

InChI: InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile
Compound CID : 57342889

分子式: C₂₀H₂₀BrN₃ 分子量: 382.3

IUPAC Name: (Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile

SMILES: CN1CCN(CC1)C2=CC=C(C=C2)C=C(C#N)C3=CC=CC=C3Br

InChIKey: ZJMDTBBCNMGFMS-SAPNQHFASA-N

InChI: InChI=1S/C20H20BrN3/c1-23-10-12-24(13-11-23)18-8-6-16(7-9-18)14-17(15-22)19-4-2-3-5-20(19)21/h2-9,14H,10-13H2,1H3/b17-14+

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