Approved Ligands-Aladdin Scientific

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Cyclosporin A, Cyclophilin A modulator
- ≥98%
Cas#: 59865-13-3 Compound CID: 5284373

Formula: C₆₂H₁₁₁N₁₁O₁₂ Molecular Weight: 1202.61

IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

InChIKey: PMATZTZNYRCHOR-CGLBZJNRSA-N

InChI: InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1

Synonyms: Cicloral (antibiotic) | cyclosporine | CYCLOSPORINE [HSDB] | Cyclosporine [USAN:USP] | CYCLOSPORINE [VANDF] | Prestwi...
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Chenodeoxycholic acid, Agonist of Farnesoid X receptor;Antagonist of FPR1;Agonist of GPBA receptor
Cas#: 474-25-9

Formula: C₂₄H₄₀O₄ Molecular Weight: 392.58

IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

InChIKey: RUDATBOHQWOJDD-BSWAIDMHSA-N

InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

Synonyms: (R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)p...
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Terfenadine, Inhibitor of CYP2J2;Antagonist of H 1 receptor;Channel blocker of K v10.1;Channel blocker of K v11.1
- ≥98%
Cas#: 50679-08-8 Compound CID: 5405

Formula: C₃₂H₄₁NO₂ Molecular Weight: 471.67

IUPAC Name: 1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

SMILES: CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O

InChIKey: GUGOEEXESWIERI-UHFFFAOYSA-N

InChI: InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3

Synonyms: HMS3263D08 | HSDB 6508 | SCHEMBL5152 | SDCCGSBI-0051180.P004 | 1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)p...
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(±)-Sulfinpyrazone, Antagonist of FPR1;Inhibitor of Urate anion exchanger 1
- 10mM in DMSO
Cas#: 57-96-5 Compound CID: 5342

Formula: C₂₃H₂₀N₂O₃S Molecular Weight: 404.48

IUPAC Name: 4-[2-(benzenesulfinyl)ethyl]-1,2-diphenylpyrazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCS(=O)C4=CC=CC=C4

InChIKey: MBGGBVCUIVRRBF-UHFFFAOYSA-N

InChI: InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2

Synonyms: sulfinpyrazone|57-96-5|Sulphinpyrazone|Anturane|(+/-)-SULFINPYRAZONE|Sulfinpyrazon|Anturan|Diphenylpyrazone|Sulfoxyph...
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Amitriptyline, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Antagonist of 5-HT 7 receptor;Antagonist of H 1 receptor;Channel blocker of K ir3.2;Channel blocker of K ir3.4;Antagonist of LPA 1 receptor;Antagonist of M 1 recep
- ≥98%
Cas#: 50-48-6 Compound CID: 2160

Formula: C₂₀H₂₃N Molecular Weight: 277.41

IUPAC Name: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

SMILES: CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

InChIKey: KRMDCWKBEZIMAB-UHFFFAOYSA-N

InChI: InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3

Synonyms: Redomex | Triptisol | Damilen | Lantron | Amitriptilina | amitriptyline | Amitryptiline | Triptanol | Elavil | Serote...
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Duloxetine, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2C receptor;Antagonist of 5-HT 6 receptor;Inhibitor of NET;Inhibitor of SERT
- ≥99%
Cas#: 116539-59-4 Compound CID: 60835

Formula: C₁₈H₁₉NOS Molecular Weight: 297.42

IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine

SMILES: CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32

InChIKey: ZEUITGRIYCTCEM-KRWDZBQOSA-N

InChI: InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1

Synonyms: (+)-(S)-N-Methyl-3-(1-naphthyloxy)-3-(2-thienyl)propylamin | (3s)-n-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propa...
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Propafenone, Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor;Channel blocker of K v1.5
- 10mM in DMSO
Cas#: 54063-53-5 Compound CID: 4932

Formula: C₂₁H₂₇NO₃ Molecular Weight: 341.44

IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one

SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

InChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-N

InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

Synonyms: propafenone|54063-53-5|Rythmol|Propafenona|Propafenonum|Propafenonum [INN-Latin]|Propafenona [INN-Spanish]|Propafenon...
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Propafenone, Antagonist of β 1-adrenoceptor;Antagonist of β 2-adrenoceptor;Channel blocker of K v1.5
- ≥98%
Cas#: 54063-53-5 Compound CID: 4932

Formula: C₂₁H₂₇NO₃ Molecular Weight: 341.44

IUPAC Name: 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one

SMILES: CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

InChIKey: JWHAUXFOSRPERK-UHFFFAOYSA-N

InChI: InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3

Synonyms: AB00053687-14 | CHEBI:63619 | PROPAFENONE [WHO-DD] | A829936 | KBio2_002092 | NCGC00015819-10 | KBioGR_000817 | FT-06...
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Solifenacin (YM905), Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor
- 10mM in DMSO
Cas#: 242478-37-1 Compound CID: 154059

Formula: C₂₃H₂₆N₂O₂ Molecular Weight: 362.48

IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

SMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5

InChIKey: FBOUYBDGKBSUES-VXKWHMMOSA-N

InChI: InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1

Synonyms: Solifenacin|242478-37-1|Soliten|(+)-Solifenacin|UNII-A8910SQJ1U|Solifenacin (INN)|A8910SQJ1U|YM-905|NSC-759144|[(3R)-...
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Solifenacin (YM905), Antagonist of M 1 receptor;Antagonist of M 2 receptor;Antagonist of M 3 receptor;Antagonist of M 4 receptor;Antagonist of M 5 receptor
- ≥98%
Cas#: 242478-37-1 Compound CID: 154059

Formula: C₂₃H₂₆N₂O₂ Molecular Weight: 362.48

IUPAC Name: [(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate

SMILES: C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CC=C5

InChIKey: FBOUYBDGKBSUES-VXKWHMMOSA-N

InChI: InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1

Synonyms: solifenacine | A16947 | Solifenacin (INN) | SCHEMBL9971260 | Solifenacina | (3R)-1-azabicyclo[2.2.2]octan-3-yl (1S)-1...
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