sp_smo-Aladdin Scientific

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GSA10, Allosteric modulator of SMO

Grade & Purity:

Moligand™

≥96%

Cas Number: 300833-95-8 EC Number: 808-811-9

Formula: C₂₆H₃₀N₂O₅ Molecular Weight: 450.53

IUPAC Name: propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate

SMILES: CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OCCC)O

InChIKey: MDLUYYGRCGDKGL-UHFFFAOYSA-N

InChI: InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1show more

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PF 04449913 maleate, Smoothened homolog antagonist

Grade & Purity:

≥98%(HPLC)

Cas Number: 2030410-25-2 Compound CID: 122640033

Formula: C₂₁H₂₂N₆O.C₄H₄O₄ Molecular Weight: 490.51

IUPAC Name: 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea;(Z)-but-2-enedioic acid

SMILES: CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N.C(=CC(=O)O)C(=O)O

InChIKey: VJCVKWFBWAVYOC-UIXXXISESA-N

InChI: InChI=1S/C21H22N6O.C4H4O4/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20;5-3(6)1-2-4(7)8/h2-9,16,19H,10-12H2,show more

Synonyms: GLASDEGIB MALEATE [JAN] | 2030410-25-2 (maleate) | Glasdegib maleate | 1-((2R,4R)-2-(1H-Benzimidazol-2-yl)-1-methylpi...

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IHR 1

Grade & Purity:

≥99%(HPLC)

Cas Number: 548779-60-8

Formula: C₂₀H₁₂Cl₄N₂O₂ Molecular Weight: 454.13

IUPAC Name: 2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]phenyl]benzamide

SMILES: C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)Cl)NC(=O)C3=C(C=CC(=C3)Cl)Cl

InChIKey: VCLHHRGZKNUOAQ-UHFFFAOYSA-N

InChI: InChI=1S/C20H12Cl4N2O2/c21-11-1-7-17(23)15(9-11)19(27)25-13-3-5-14(6-4-13)26-20(28)16-10-12(22)2-8-18(16)24/h1-10H,(H,25,27)(H,26,28)

Synonyms: N,N'-1,4-Phenylenebis[2,5-dichlorobenzamide] | IHR-1

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Jervine

Grade & Purity:

≥97%(HPLC)

Cas Number: 469-59-0 EC Number: 207-417-9

Formula: C₂₇H₃₉NO₃ Molecular Weight: 425.6

IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,show more

SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)NC1

InChIKey: CLEXYFLHGFJONT-DNMILWOZSA-N

InChI: InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,show more

Synonyms: NSC7520 | NSC-7520 | CCG-208226 | Spiro[9H-benzo[a]fluorene-9,2-b]-pyridin]-11(1H)-one,2,3,3'a,4,4',5',6,6',6a,6b,7,7...

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PF 5274857 hydrochloride

Grade & Purity:

≥98%(HPLC)

Cas Number: 1613439-62-5 Compound CID: 90489027

Formula: C₂₀H₂₆Cl₂N₄O₃S Molecular Weight: 473.42

IUPAC Name: 1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one;hydrochloride

SMILES: CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C.Cl

InChIKey: GULNFUQAVPTTQV-UHFFFAOYSA-N

InChI: InChI=1S/C20H25ClN4O3S.ClH/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28;/h10-13H,4-9H2,1-3H3;1H

Synonyms: 1-[4-(5'-Chloro-3,5-dimethyl[2,4'-bipyridin]-2'-yl-1-piperazinyl]-3-(methylsulfonyl)-1-propanone hydrochloride

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PF-5274857

Grade & Purity:

≥98%

Cas Number: 1373615-35-0

Formula: C₂₀H₂₅ClN₄O₃S Molecular Weight: 436.96

IUPAC Name: 1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one

SMILES: CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C

InChIKey: BBVNTTZIOTWDSV-UHFFFAOYSA-N

InChI: InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3

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Cyclopamine, Antagonist of SMO

Grade & Purity:

Moligand™

≥99%

Cas Number: 4449-51-8 EC Number: 628-058-8

Formula: C₂₇H₄₁NO₂ Molecular Weight: 411.62

IUPAC Name: (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-heshow more

SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1

InChIKey: QASFUMOKHFSJGL-LAFRSMQTSA-N

InChI: InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-1show more

Synonyms: (3beta,22S,23R)-17,23-epoxyveratraman-3-ol | A881419 | HMS3403D13 | GAMMA CYCLODEXTRIN [MART.] | BRD-K58938839-001-03...

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MRT 10

Grade & Purity:

≥98%

Cas Number: 330829-30-6

Formula: C₂₄H₂₃N₃O₅S Molecular Weight: 465.52

IUPAC Name: N-[(3-benzamidophenyl)carbamothioyl]-3,4,5-trimethoxybenzamide

SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3

InChIKey: KVQVEZQDNHMQJV-UHFFFAOYSA-N

InChI: InChI=1S/C24H23N3O5S/c1-30-19-12-16(13-20(31-2)21(19)32-3)23(29)27-24(33)26-18-11-7-10-17(14-18)25-22(28)15-8-5-4-6-9-15/h4-14H,1-3H3,(H,25,28)(H2,26,show more

Synonyms: EX-A7242 | J-019016 | MRT-10, >=98% (HPLC) | MS-28575 | 3,4,5-trimethoxy-N-({3-[(phenylcarbonyl)amino]phenyl}carbamot...

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DY131, Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ

Grade & Purity:

Moligand™

≥98%

Cas Number: 95167-41-2

Formula: C₁₈H₂₁N₃O₂ Molecular Weight: 311.38

IUPAC Name: N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide

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

InChIKey: WLKOCYWYAWBGKY-CPNJWEJPSA-N

InChI: InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+

Synonyms: DTXSID00176875 | EN300-1700019 | N'-((1E)-(4-(diethylamino)phenyl)methylene)-4-hydroxybenzohydrazide | DY131 | N'-{[4...

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BMS-833923, Smoothened homolog antagonist

Grade & Purity:

Moligand™

≥98%

Cas Number: 1059734-66-5

Formula: C₃₀H₂₇N₅O Molecular Weight: 473.57

IUPAC Name: N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide

SMILES: CC1=C(C=C(C=C1)CNC)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5

InChIKey: KLRRGBHZCJLIEL-UHFFFAOYSA-N

InChI: InChI=1S/C30H27N5O/c1-20-12-13-21(19-31-2)18-27(20)33-29(36)23-14-16-24(17-15-23)32-30-34-26-11-7-6-10-25(26)28(35-30)22-8-4-3-5-9-22/h3-18,31H,19H2,1show more

Synonyms: N-(2-methyl-5-((methylamino)methyl)phenyl)-4-((4-phenylquinazolin-2-yl)amino)benzamide. | Q27075373 | BCP07837 | SW21...

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HhAntag

Grade & Purity:

≥98%

Cas Number: 496794-70-8

Formula: C₂₄H₂₃ClN₄O₃ Molecular Weight: 450.92

IUPAC Name: N-[4-chloro-3-[6-(dimethylamino)-1H-benzimidazol-2-yl]phenyl]-3,5-dimethoxybenzamide

SMILES: CN(C)C1=CC2=C(C=C1)N=C(N2)C3=C(C=CC(=C3)NC(=O)C4=CC(=CC(=C4)OC)OC)Cl

InChIKey: UBHJFPVTEATUFS-UHFFFAOYSA-N

InChI: InChI=1S/C24H23ClN4O3/c1-29(2)16-6-8-21-22(12-16)28-23(27-21)19-11-15(5-7-20(19)25)26-24(30)14-9-17(31-3)13-18(10-14)32-4/h5-13H,1-4H3,(H,26,30)(H,27,show more

Synonyms: N-(4-chloro-3-(5-(dimethylamino)-1H-benzo[d]imidazol-2-yl)phenyl)-3,5-dimethoxybenzamide | SCHEMBL2157955 | Hh-Antag;...

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Purmorphamine, Agonist of SMO

Grade & Purity:

Moligand™

≥98%

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: Shh Signaling Antagonist VI | 2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine

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