Approved Ligands-Aladdin Scientific

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Zileuton, Arachidonate 5-lipoxygenase inhibitor
- ≥98%(HPLC)
Cas#: 111406-87-2 Compound CID: 60490

Formula: C₁₁H₁₂N₂O₂S Molecular Weight: 236.29

IUPAC Name: 1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea

SMILES: CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O

InChIKey: MWLSOWXNZPKENC-UHFFFAOYSA-N

InChI: InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)

Synonyms: FT-0601582 | MWLSOWXNZPKENC-UHFFFAOYSA-N | N-(1-BENZO(B)THIEN-2-YL-ETHYL)-N-HYDROXYUREA | N-(1-Benzo(b)thien-2-ylethy...
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PF-04971729, Sodium/glucose cotransporter 2 inhibitor
- ≥98%
Cas#: 1210344-57-2 Compound CID: 44814423

Formula: C₂₂H₂₅ClO₇ Molecular Weight: 436.88

IUPAC Name: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)Cl

InChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-N

InChI: InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1

Synonyms: (1S,2S,3S,4R,5S)-5-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-1-hydroxymethyl-6,8-dioxabicyclo(3.2.1)octane-2,3,4-triol | ER...
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Dapagliflozin, Inhibitor of Sodium/glucose cotransporter 1;Inhibitor of Sodium/glucose cotransporter 2
- ≥99%
Cas#: 461432-26-8 Compound CID: 9887712

Formula: C₂₁H₂₅ClO₆ Molecular Weight: 408.87

IUPAC Name: (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl

InChIKey: JVHXJTBJCFBINQ-ADAARDCZSA-N

InChI: InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1

Synonyms: BDBM50448923 | EN300-7407160 | (2S,3R,4R,5S,6R)-2-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-6-hydroxymethyl-tetrahydro-py...
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Vilazodone, Agonist of 5-HT 1A receptor;Agonist of 5-HT 4 receptor;Agonist of D 2 receptor;Agonist of D 3 receptor;Agonist of H 1 receptor;Inhibitor of SERT
- ≥98%
Cas#: 163521-12-8 Compound CID: 6918314

Formula: C₂₆H₂₇N₅O₂ Molecular Weight: 441.52

IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

SMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

InChIKey: SGEGOXDYSFKCPT-UHFFFAOYSA-N

InChI: InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)

Synonyms: 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)-1-benzofuran-2-carboxamide | EMD 515259 | 2,5-bis(p-aminophenyl)...
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Sunitinib, Inhibitor of fibroblast growth factor receptor 1;Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of fms related receptor tyrosine kinase 4;Inhibitor of kinase insert domain receptor;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase;I
- ≥99%
Cas#: 557795-19-4 Compound CID: 5329102

Formula: C₂₂H₂₇FN₄O₂ Molecular Weight: 398.47

IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C

InChIKey: WINHZLLDWRZWRT-ATVHPVEESA-N

InChI: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-

Synonyms: 1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- | D08552 | C22H27FN4O2 | N-(2-(Diet...
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Cisapride, Agonist of 5-HT 4 receptor;Agonist of 5-HT 7 receptor;Channel blocker of K v11.1
- ≥99%
Cas#: 81098-60-4 Compound CID: 6917698

Formula: C₂₃H₂₉ClFN₃O₄ Molecular Weight: 465.95

IUPAC Name: 4-amino-5-chloro-N-[(3S,4R)-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide

SMILES: COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F

InChIKey: DCSUBABJRXZOMT-IRLDBZIGSA-N

InChI: InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29)/t20-,22+/m1/s1

Synonyms: R-51619 | SCHEMBL16132 | SR-01000597514-1 | cis-4-amino-5-chloro-N-(1-(3-(p-fluorophenoxy)propyl)-3-methoxy-4-piperid...
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PF-04971729, Sodium/glucose cotransporter 2 inhibitor
- 10mM in DMSO
Cas#: 1210344-57-2 Compound CID: 44814423

Formula: C₂₂H₂₅ClO₇ Molecular Weight: 436.88

IUPAC Name: (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

SMILES: CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C34C(C(C(C(O3)(CO4)CO)O)O)O)Cl

InChIKey: MCIACXAZCBVDEE-CUUWFGFTSA-N

InChI: InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1

Synonyms: Ertugliflozin|1210344-57-2|PF-04971729|Steglatro|PF04971729|MK-8835|PF 04971729|(1S,2S,3S,4R,5S)-5-(4-chloro-3-(4-eth...
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Tropisetron, Antagonist of 5-HT 3A;Antagonist of 5-HT 4 receptor;Antagonist of glycine receptor α1 subunit;Antagonist of glycine receptor α2 subunit;Antagonist of glycine receptor β subunit
- ≥99%
Cas#: 89565-68-4 Compound CID: 656665

Formula: C₁₇H₂₀N₂O₂ Molecular Weight: 284.35

IUPAC Name: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate

SMILES: CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43

InChIKey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N

InChI: InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?

Synonyms: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate | TROPISETRON [WHO-DD] | Tropisteron | HY-B0...
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Vilazodone, Agonist of 5-HT 1A receptor;Agonist of 5-HT 4 receptor;Agonist of D 2 receptor;Agonist of D 3 receptor;Agonist of H 1 receptor;Inhibitor of SERT
- 10mM in DMSO
Cas#: 163521-12-8 Compound CID: 6918314

Formula: C₂₆H₂₇N₅O₂ Molecular Weight: 441.52

IUPAC Name: 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

SMILES: C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N

InChIKey: SGEGOXDYSFKCPT-UHFFFAOYSA-N

InChI: InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)

Synonyms: 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)-1-benzofuran-2-carboxamide | EMD 515259 | 2,5-bis(p-aminophenyl)...
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Sunitinib
- ≥97%
Cas#: 557795-19-4 Compound CID: 5329102

Formula: C₂₂H₂₇FN₄O₂ Molecular Weight: 398.47

IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C

InChIKey: WINHZLLDWRZWRT-ATVHPVEESA-N

InChI: InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-

Synonyms: 1H-Pyrrole-3-carboxamide,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl- | D08552 | C22H27FN4O2 | N-(2-(Diet...
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