Doxorubicin hydrochloride, Tocris Bioscience™
CAS: 25316-40-9 Molecular Formula: C27H30ClNO11 Molecular Weight (g/mol): 579.98 MDL Number: MFCD00077757,MFCD00077757,MFCD00941448 InChI Key: MWWSFMDVAYGXBV-FGBJBKNOSA-N Synonym: doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs PubChem CID: 129626538 IUPAC Name: hydrogen (8S,10S)-10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione chloride SMILES: [H+].[Cl-].COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3OC3CC(N)C(O)C(C)O3)C(=O)CO)C(O)=C1C2=O
SB 366791, Tocris Bioscience™
CAS: 472981-92-3 Molecular Formula: C16H14ClNO2 Molecular Weight (g/mol): 287.743 InChI Key: RYAMDQKWNKKFHD-JXMROGBWSA-N Synonym: 2e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,n-3-methoxyphenyl-4-chlorocinnamide,n-3-methoxyphenyl-4-chlorocinnamanilide,e-3-4-chlorophenyl-n-3-methoxyphenyl acrylamide,ftalidap 27,3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide,2-propenamide, 3-4-chlorophenyl-n-3-methoxyphenyl,sb hplc , powder,e-3-4-chlorophenyl-n-3-methoxyphenyl prop-2-enamide PubChem CID: 667594 IUPAC Name: (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide SMILES: COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl
Entacapone, Tocris Bioscience™
CAS: 130929-57-6 Molecular Formula: C14H15N3O5 Molecular Weight (g/mol): 305.29 MDL Number: MFCD00866580 InChI Key: JRURYQJSLYLRLN-BJMVGYQFSA-N Synonym: entacapone,comtan,comtess,entacaponum,entacapona,entacaponum inn-latin,entacapona inn-spanish,entacom,entacapone usan:inn,2-cyano-n,n-diethyl-3-3,4-dihydroxy-5-nitrophenyl propenamide PubChem CID: 5281081 ChEBI: CHEBI:4798 IUPAC Name: (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide SMILES: CCN(CC)C(=O)C(=C\C1=CC(O)=C(O)C(=C1)[N+]([O-])=O)\C#N
Cinanserin hydrochloride, Tocris Bioscience™
CAS: 54-84-2 Molecular Formula: C20H25ClN2OS Molecular Weight (g/mol): 376.943 InChI Key: LXGJPDKYMJJWRB-IERUDJENSA-N Synonym: cinanserin hydrochloride,cinnanserin,maptc,cinanserin hcl,unii-f65z32ki62,cinanserin hydrochloride usan,2'-3-dimethylamino propyl thio cinnamanilide hydrochloride,2'-3-dimethylamino propyl thio cinnamanilide monohydrochloride,2-propenamide, n-2-3-dimethylamino propyl thio phenyl-3-phenyl-, monohydrochloride PubChem CID: 6433141 IUPAC Name: (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride SMILES: CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
AMG 9810, Tocris Bioscience™
CAS: 545395-94-6 Molecular Formula: C21H23NO3 Molecular Weight (g/mol): 337.419 InChI Key: GZTFUVZVLYUPRG-IZZDOVSWSA-N Synonym: unii-182hij2d7f,2e-3-4-tert-butylphenyl-n-2,3-dihydro-1,4-benzodioxin-6-yl prop-2-enamide,2e-n-2,3-dihydro-1,4-benzodioxin-6-yl-3-4-1,1-dimethylethyl phenyl-2-propenamide,trans-cinnamide,d0xo2g,e-3-4-t-butylphenyl-n-2,3-dihydrobenzo b 1,4 dioxin-6-yl acrylamide,3-4-t-butylphenyl-n-2,3-dihydrobenzo b 1,4 dioxin-6-yl acrylamide,amg hplc , powder,e-3-4-tert-butylphenyl-n-2,3-dihydro-1,4-benzodioxin-6-yl prop-2-enamide PubChem CID: 680502 IUPAC Name: (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide SMILES: CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3
TUG 891, Tocris Bioscience™
CAS: 1374516-07-0 Molecular Formula: C23H21FO3 Molecular Weight (g/mol): 364.416 InChI Key: LPGBXHWIQNZEJB-UHFFFAOYSA-N Synonym: 3-4-5-fluoro-2-4-methylphenyl phenyl methoxy phenyl propanoic acid,4-4-fluoro-4'-methyl 1,1'-biphenyl-2-yl methoxy-benzenepropanoic acid,d0k6eg,3-4-4-fluoro-4'-methylbiphenyl-2-yl methoxy phenyl propanoic acid,3-4-4-fluoro-4-methyl-1,1-biphenyl-2-yl methoxy phenyl propanoic acid PubChem CID: 57522038 IUPAC Name: 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid SMILES: CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)COC3=CC=C(C=C3)CCC(=O)O
Rottlerin, Tocris Bioscience™
CAS: 82-08-6 Molecular Formula: C30H28O8 Molecular Weight (g/mol): 516.546 InChI Key: DEZFNHCVIZBHBI-ZHACJKMWSA-N Synonym: rottlerin,mallotoxin,kamalin,unii-e29lp3zmuh,e29lp3zmuh,chembl34241,bmk1-f10,e-1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one,1-6-3-acetyl-2,4,6-trihydroxy-5-methyl-benzyl-5,7-dihydroxy-2,2-dimethyl-2h-chromen-8-yl-3-phenyl-propenone,1-6-3-acetyl-2,4,6-trihydroxy-5-methylphenyl methyl-5,7-dihydroxy-2,2-dimethyl-2h-1-benzopyran-8-yl-3-phenyl-2-propen-1-one PubChem CID: 5281847 ChEBI: CHEBI:8899 IUPAC Name: (E)-1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-phenylprop-2-en-1-one SMILES: CC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O
Luteolin, Tocris Bioscience™
CAS: 491-70-3 Molecular Formula: C15H10O6 Molecular Weight (g/mol): 286.239 InChI Key: IQPNAANSBPBGFQ-UHFFFAOYSA-N Synonym: luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide PubChem CID: 5280445 ChEBI: CHEBI:15864 IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
HX 531, Tocris Bioscience™
CAS: 188844-34-0 Molecular Formula: C29H29N3O4 Molecular Weight (g/mol): 483.568 InChI Key: SXKPGYKPQPYJER-UHFFFAOYSA-N Synonym: d02yhd,z-4-5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5h-benzo b naphtho 2,3-e 1,4 diazepin-12-yl benzoic acid,4-5,7,7,10,10-pentamethyl-2-nitro-7,8,9,10-tetrahydro-5h-5,13-diaza-benzo 4,5 cyclohepta 1,2-b naphthalen-12-yl-benzoic acid,4-5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho 2,3-b 1,5 benzodiazepin-12-yl benzoic acid,4-7,8,9,10-tetrahydro-5,7,7,10.10-pentamethyl-2-nitro-5h-benzo b naphtho 2,3-e 1,4-diazepin-12-yl-benzoic acid PubChem CID: 11755040 IUPAC Name: 4-(5,7,7,10,10-pentamethyl-2-nitro-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid SMILES: CC1(CCC(C2=C1C=C3C(=C2)N(C4=C(C=C(C=C4)[N+](=O)[O-])N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C
Genistein, Tocris Bioscience™
CAS: 446-72-0 Molecular Formula: C15H10O5 Molecular Weight (g/mol): 270.24 MDL Number: MFCD00016952 InChI Key: TZBJGXHYKVUXJN-UHFFFAOYSA-N Synonym: genistein,prunetol,genisteol,4',5,7-trihydroxyisoflavone,genisterin,sophoricol,5,7,4'-trihydroxyisoflavone,bonistein,5,7-dihydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,genestein PubChem CID: 5280961 ChEBI: CHEBI:28088 IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one SMILES: OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
7,8-Dihydroxyflavone, Tocris Bioscience™
CAS: 38183-03-8 Molecular Formula: C15H10O4 Molecular Weight (g/mol): 254.24 MDL Number: MFCD00006836 InChI Key: COCYGNDCWFKTMF-UHFFFAOYSA-N Synonym: 7,8-dihydroxyflavone,7,8-dihydroxy-2-phenyl-4h-chromen-4-one,7,8-dihydroxy-flavone,4h-1-benzopyran-4-one, 7,8-dihydroxy-2-phenyl,7,8-dhf,7,8-dihydroxy-2-phenyl-4-benzopyrone,7,8-dihydroxy-2-phenyl-chromen-4-one,7,8-dihydroxyflavone hydrate,chembl75267,7,8-dihydroxy-2-phenyl-4h-1-benzopyran-4-one PubChem CID: 1880 IUPAC Name: 7,8-dihydroxy-2-phenyl-4H-chromen-4-one SMILES: OC1=CC=C2C(=O)C=C(OC2=C1O)C1=CC=CC=C1
iMDK, Tocris Bioscience™
CAS: 881970-80-5 Molecular Formula: C21H13FN2O2S Molecular Weight (g/mol): 376.405 InChI Key: IWFKQTWYILKFGE-UHFFFAOYSA-N Synonym: imdk,3-2-4-fluorobenzyl imidazo 2,1-b 1,3 thiazol-6-yl-2h-chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b thiazol-6-yl-2h-1-benzopyran-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3 thiazol-6-yl chromen-2-one,3-2-4-fluorophenyl methyl imidazo 2,1-b 1,3-thiazolin-6-yl chromen-2-one PubChem CID: 15991416 IUPAC Name: 3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
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