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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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Robotnikinin

Grade & Purity:

≥98%

Cas Number: 1132653-79-2 Compound CID: 25109985

Formula: C₂₅H₂₇ClN₂O₄ Molecular Weight: 454.95

IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(2R,6S,8E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl]acetamide

SMILES: C1CC(=O)OC(CNC(=O)C(CC=C1)CC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChIKey: DRDSZZCLAHXSAE-BQIDRLATSA-N

InChI: InChI=1S/C25H27ClN2O4/c26-21-13-11-18(12-14-21)16-27-23(29)15-20-9-5-2-6-10-24(30)32-22(17-28-25(20)31)19-7-3-1-4-8-19/h1-5,7-8,11-14,20,22H,6,9-10,15show more

Synonyms: N-(4-chlorobenzyl)-2-((2R,6S,E)-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-6-yl)acetamide | N-[(4-chlorophenyl)me...

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1-Methyladenosine

Grade & Purity:

≥98%

Cas Number: 15763-06-1

Formula: C₁₁H₁₅N₅O₄ Molecular Weight: 281.27

IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol

SMILES: CN1C=NC2=C(C1=N)N=CN2C3C(C(C(O3)CO)O)O

InChIKey: GFYLSDSUCHVORB-IOSLPCCCSA-N

InChI: InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1

Synonyms: H10051 | AC-32347 | Adenosine, N,6-didehydro-1,9-dihydro-1-methyl- | HY-113081 | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6...

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Neurodazine

Grade & Purity:

≥98%

Cas Number: 937807-66-4

Formula: C₂₇H₂₁ClN₂O₃ Molecular Weight: 456.93

IUPAC Name: 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole

SMILES: COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(O3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)OC

InChIKey: FEEOFPAEDSMOTO-UHFFFAOYSA-N

InChI: InChI=1S/C27H21ClN2O3/c1-31-21-10-6-17(7-11-21)25-26(18-8-12-22(32-2)13-9-18)30-27(29-25)24-15-14-23(33-24)19-4-3-5-20(28)16-19/h3-16H,1-2H3,(H,29,30)

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Itraconazole-d5 (major)

Grade & Purity:

≥98 atom% D(deuterated forms d0-d5),≥97%

Cas Number: 1217510-38-7

Formula: C₃₅H₃₃D₅Cl₂N₈O₄ Molecular Weight: 710.66

IUPAC Name: 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3,3,4,4,4-pentadeushow more

SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

InChIKey: VHVPQPYKVGDNFY-VXTATNQMSA-N

InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22show more

Synonyms: HY-17514S | Itraconazole-d5 (major) | 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-di...

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JK184

Grade & Purity:

≥98%(HPLC)

Cas Number: 315703-52-7

Formula: C₁₉H₁₈N₄OS Molecular Weight: 350.44

IUPAC Name: N-(4-ethoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine

SMILES: CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=C4)C

InChIKey: ROYXIPOUVGDTAO-UHFFFAOYSA-N

InChI: InChI=1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22)

Synonyms: AKOS016003923 | DTXSID70360042 | B2693-462944 | BDBM50249523 | N-(4-ETHOXYPHENYL)-4-{2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-...

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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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Vismodegib (GDC-0449), Smoothened homolog inhibitor

Grade & Purity:

Moligand™

≥98%

Cas Number: 879085-55-9 Compound CID: 24776445

Formula: C₁₉H₁₄Cl₂N₂O₃S Molecular Weight: 421.31

IUPAC Name: 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide

SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

InChIKey: BPQMGSKTAYIVFO-UHFFFAOYSA-N

InChI: InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)

Synonyms: Vismodegib (USAN/INN) | 2-Chloro-N-(4-chloro-3-(pyridin-2-yl)-phenyl)-4-(methylsulfonyl)benzamide | 2-chloro-N-(4-chl...

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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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SANT-1, Antagonist of SMO

Grade & Purity:

Moligand™

≥98%

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+

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SANT-2, Antagonist of SMO

Grade & Purity:

Moligand™

≥95%

Cas Number: 329196-48-7 Compound CID: 1367095

Formula: C₂₆H₂₆ClN₃O₄ Molecular Weight: 479.96

IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-triethoxybenzamide

SMILES: CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4N3

InChIKey: VQOJFGFKIVFMDH-UHFFFAOYSA-N

InChI: InChI=1S/C26H26ClN3O4/c1-4-32-22-13-16(14-23(33-5-2)24(22)34-6-3)26(31)28-17-11-12-19(27)18(15-17)25-29-20-9-7-8-10-21(20)30-25/h7-15H,4-6H2,1-3H3,(H,show more

Synonyms: GTPL10331 | J-018936 | HY-107408 | SR-01000419345 | NCGC00263210-04 | BDBM50249489 | HMS3414C13 | NCGC00263210-06 | S...

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Itraconazole

Grade & Purity:

Moligand™

≥98%(HPLC)

Cas Number: 84625-61-6

Formula: C₃₅H₃₈Cl₂N₈O₄ Molecular Weight: 705.63

IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-show more

SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

InChIKey: VHVPQPYKVGDNFY-UHFFFAOYSA-N

InChI: InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22show more

Synonyms: R51211 | 2-(butan-2-yl)-4-{4-[4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy...

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