sp_smo-Aladdin Scientific

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LY2940680, Smoothened homolog antagonist

Grade & Purity:

2mM in DMSO

Cas Number: 1258861-20-9

Formula: C₂₆H₂₄F₄N₆O Molecular Weight: 512.5

IUPAC Name: 4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide

SMILES: CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F

InChIKey: SZBGQDXLNMELTB-UHFFFAOYSA-N

InChI: InChI=1S/C26H24F4N6O/c1-34(25(37)20-8-7-16(27)15-21(20)26(28,29)30)17-10-13-36(14-11-17)24-19-6-4-3-5-18(19)23(32-33-24)22-9-12-31-35(22)2/h3-9,12,15,show more

Synonyms: Taladegib|1258861-20-9|LY2940680|LY-2940680|4-Fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piper...

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MK-4101

Grade & Purity:

≥97%

Cas Number: 935273-79-3

Formula: C₂₄H₂₄F₅N₅O Molecular Weight: 493.47

IUPAC Name: 5-(3,3-difluorocyclobutyl)-3-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazole

SMILES: CN1C(=NN=C1C23CCC(CC2)(CC3)C4=NOC(=N4)C5CC(C5)(F)F)C6=CC=CC=C6C(F)(F)F

InChIKey: HKJOIWLYDJCTQR-UHFFFAOYSA-N

InChI: InChI=1S/C24H24F5N5O/c1-34-17(15-4-2-3-5-16(15)24(27,28)29)31-32-20(34)22-9-6-21(7-10-22,8-11-22)19-30-18(35-33-19)14-12-23(25,26)13-14/h2-5,14H,6-13Hshow more

Synonyms: 5-(3,3-difluorocyclobutyl)-3-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-y...

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MK-4101

Grade & Purity:

10mM in DMSO

Cas Number: 935273-79-3

Formula: C₂₄H₂₄F₅N₅O Molecular Weight: 493.47

IUPAC Name: 5-(3,3-difluorocyclobutyl)-3-[4-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-1-bicyclo[2.2.2]octanyl]-1,2,4-oxadiazole

SMILES: CN1C(=NN=C1C23CCC(CC2)(CC3)C4=NOC(=N4)C5CC(C5)(F)F)C6=CC=CC=C6C(F)(F)F

InChIKey: HKJOIWLYDJCTQR-UHFFFAOYSA-N

InChI: InChI=1S/C24H24F5N5O/c1-34-17(15-4-2-3-5-16(15)24(27,28)29)31-32-20(34)22-9-6-21(7-10-22,8-11-22)19-30-18(35-33-19)14-12-23(25,26)13-14/h2-5,14H,6-13Hshow more

Synonyms: 5-(3,3-difluorocyclobutyl)-3-(4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)bicyclo[2.2.2]octan-1-y...

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Purmorphamine, Agonist of SMO

Grade & Purity:

Moligand™

2mM in DMSO

Cas Number: 483367-10-8

Formula: C₃₁H₃₂N₆O₂ Molecular Weight: 520.62

IUPAC Name: 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine

SMILES: C1CCC(CC1)N2C=NC3=C(N=C(N=C32)OC4=CC=CC5=CC=CC=C54)NC6=CC=C(C=C6)N7CCOCC7

InChIKey: FYBHCRQFSFYWPY-UHFFFAOYSA-N

InChI: InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/hshow more

Synonyms: CS-0626102 | 9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine | HSCI1_000224 | SMR00...

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SAG, Agonist of FZD 6;Agonist of SMO

Grade & Purity:

Moligand™

≥95%

Cas Number: 912545-86-9 Compound CID: 5284330

Formula: C₂₈H₂₈ClN₃OS Molecular Weight: 490.06

IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

SMILES: CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChIKey: VFSUUTYAEQOIMW-UHFFFAOYSA-N

InChI: InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30show more

Synonyms: 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]benzo[b]thiophene-2-carboxamide dihydro...

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SAG

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 912545-86-9 Compound CID: 5284330

Formula: C₂₈H₂₈ClN₃OS Molecular Weight: 490.06

IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide

SMILES: CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChIKey: VFSUUTYAEQOIMW-UHFFFAOYSA-N

InChI: InChI=1S/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30show more

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SANT-1, Antagonist of SMO

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 304909-07-7

Formula: C₂₃H₂₇N₅ Molecular Weight: 373.49

IUPAC Name: (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine

SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)CC4=CC=CC=C4

InChIKey: FOORCIAZMIWALX-JJIBRWJFSA-N

InChI: InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+

Synonyms: SANT-1|304909-07-7|1-Piperazinamine, N-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-(phenylmethyl)-|CHEMBL515...

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Smoothened Agonist (SAG) HCl

Grade & Purity:

≥99%

Cas Number: 2095432-58-7 Compound CID: 121540649

Formula: C₂₈H₂₉Cl₂N₃OS Molecular Weight: 526.52

IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;hydrochloride

SMILES: CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl.Cl

InChIKey: CRWTYWYPPITOOZ-UHFFFAOYSA-N

InChI: InChI=1S/C28H28ClN3OS.ClH/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20;/h2-8,13-17,22-show more

Synonyms: SAG hydrochloride | N-(3-(pyridin-4-yl)benzyl)-3-chloro-N-((1r,4r)-4-(methylamino)cyclohexyl)benzo[b]thiophene-2-carb...

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GI-560192

Grade & Purity:

≥98%

Cas Number: 301326-41-0

Formula: C₂₀H₁₆N₂O₂ Molecular Weight: 316.35

IUPAC Name: 4-hydroxy-N-[(E)-(4-phenylphenyl)methylideneamino]benzamide

SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C=NNC(=O)C3=CC=C(C=C3)O

InChIKey: PNAOAWLPWZRVCK-KGENOOAVSA-N

InChI: InChI=1S/C20H16N2O2/c23-19-12-10-18(11-13-19)20(24)22-21-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-14,23H,(H,22,24)/b21-14+

Synonyms: N'-([1,1'-Biphenyl]-4-ylmethylene)-4-hydroxybenzohydrazide

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AZD8542, Antagonist of SMO

Grade & Purity:

Moligand™

≥98%

Cas Number: 1126366-36-6

Formula: C₂₅H₂₄N₄O₂ Molecular Weight: 412.48

Synonyms: AZD 8542 | 1126366-36-6 | BDBM50539188 | Q27074807 | AKOS040747900 | AZD8542 | AZD-8542 | N-[2,4-dimethyl-5-(1-methyl...

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saridegib, Smoothened homolog antagonist

Grade & Purity:

Moligand™

Cas Number: 1037210-93-7 Compound CID: 25027363

Formula: C₂₉H₄₈N₂O₃S Molecular Weight: 504.8

IUPAC Name: N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulenshow more

SMILES: CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1

InChIKey: HZLFFNCLTRVYJG-WWGOJCOQSA-N

InChI: InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-2show more

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MRT-83 hydrochloride

Grade & Purity:

≥99%

Cas Number: 1359944-60-7 Compound CID: 145986773

Formula: C₃₁H₃₁ClN₄O₅ Molecular Weight: 575.05

IUPAC Name: 3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(4-phenylbenzoyl)amino]phenyl]carbamimidoyl]benzamide;hydrochloride

SMILES: CC1=C(C=C(C=C1)N=C(N)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.Cl

InChIKey: ZOQUUTBPNBYISX-UHFFFAOYSA-N

InChI: InChI=1S/C31H30N4O5.ClH/c1-19-10-15-24(33-31(32)35-30(37)23-16-26(38-2)28(40-4)27(17-23)39-3)18-25(19)34-29(36)22-13-11-21(12-14-22)20-8-6-5-7-9-20;/hshow more

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