Approved Ligands-Aladdin Scientific

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Dasatinib, Bcr/Abl fusion protein
- ≥99%
Cas#: 302962-49-8 Compound CID: 3062316

Formula: C₂₂H₂₆ClN₇O₂S Molecular Weight: 488.01

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

InChI: InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)

Synonyms: BMS 354825 | AR-270/43507994 | Dasatinib (JAN/INN) | HMS3744C11 | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHY...
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Ponatinib (AP24534), Inhibitor of ABL proto-oncogene 1; non-receptor tyrosine kinase;Inhibitor of cyclin dependent kinase 19;Inhibitor of cyclin dependent kinase 8;Inhibitor of receptor interacting serine/threonine kinase 1;Inhibitor of receptor interacting serine/threonine k
- ≥99%
Cas#: 943319-70-8 Compound CID: 24826799

Formula: C₂₉H₂₇F₃N₆O Molecular Weight: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)

Synonyms: 4340891KFS | BDBM50322535 | Dithioglycerol (VAN) | 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-n-{4-[(4-meth...
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Ibrutinib (PCI-32765), Tyrosine-protein kinase BTK inhibitor
- ≥98%
Cas#: 936563-96-1 Compound CID: 24821094

Formula: C₂₅H₂₄N₆O₂ Molecular Weight: 440.5

IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

SMILES: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N

InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N

InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1

Synonyms: PCI32765 | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one | 1...
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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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Hydrochlorothiazide, Thiazide-sensitive sodium-chloride cotransporter inhibitor
- ≥99%
Cas#: 58-93-5 Compound CID: 3639

Formula: C₇H₈ClN₃O₄S₂ Molecular Weight: 297.739

IUPAC Name: 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide

SMILES: C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl

InChIKey: JZUFKLXOESDKRF-UHFFFAOYSA-N

InChI: InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)

Synonyms: Hidrotiazida | Jen-Diril | Nefrix | Thlaretic | Dihydrochlorothiazid | Hidrochlortiazid | Hydro-Diuril | Unipres | Ac...
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Bosutinib (SKI-606), Tyrosine-protein kinase Lyn inhibitor
- ≥99%
Cas#: 380843-75-4 Compound CID: 5328940

Formula: C₂₆H₂₉Cl₂N₅O₃ Molecular Weight: 530.45

IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

InChI: InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)

Synonyms: SKI-606 | WAY-173606 | Bosutinib,SKI-606 | BSPBio_001023 | NCGC00241107-03 | NSC799367 | NSC-799367 | 4-(2,4-Dichloro...
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Metolazone, Thiazide-sensitive sodium-chloride cotransporter inhibitor
- ≥98%
Cas#: 17560-51-9 Compound CID: 4170

Formula: C₁₆H₁₆ClN₃O₃S Molecular Weight: 365.83

IUPAC Name: 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide

SMILES: CC1NC2=CC(=C(C=C2C(=O)N1C3=CC=CC=C3C)S(=O)(=O)N)Cl

InChIKey: AQCHWTWZEMGIFD-UHFFFAOYSA-N

InChI: InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)

Synonyms: CAS-17560-51-9 | Metalazone | METOLAZONE (USP MONOGRAPH) | NSC-759581 | METOLAZONE [USP MONOGRAPH] | UNII-NN9U607695 ...
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Chlorothiazide, Inhibitor of Na-Cl symporter
- ≥98%
Cas#: 58-94-6 Compound CID: 2720

Formula: C₇H₆ClN₃O₄S₂ Molecular Weight: 373.44

IUPAC Name: 6-chloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazine-7-sulfonamide

SMILES: C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2

InChIKey: JBMKAUGHUNFTOL-UHFFFAOYSA-N

InChI: InChI=1S/C7H6ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-3H,(H,10,11)(H2,9,12,13)

Synonyms: 6-chloro-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide | Spectrum_000134 | 6-chloro-4H-1,2,4-benzothiadiazi...
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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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