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1 – 15 of 18 results
1

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

PubChem CID 129626538
CAS 25316-40-9
Molecular Weight (g/mol) 579.98
MDL Number MFCD00077757,MFCD00077757,MFCD00941448
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
Synonym doxorubicin hydrochloride,adriamycin,doxorubicin hcl,adriacin,adriblastina,rubex,adriamycin hydrochloride,adriblastin,adriamycin pfs
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
InChI Key MWWSFMDVAYGXBV-FGBJBKNOSA-N
Molecular Formula C27H30ClNO11
2

Flavopiridol hydrochloride, Tocris Bioscience™

CAS: 131740-09-5 Molecular Formula: C21H21Cl2NO5 Molecular Weight (g/mol): 438.301 InChI Key: LGMSNQNWOCSPIK-LWHGMNCYSA-N Synonym: flavopiridol hydrochloride,alvocidib hydrochloride,alvocidib hcl,unii-d48ms3a6n9,flavopiridol alvocidib hcl,alvocidib hydrochloride usan,flavopiridol hcl,dsstox_cid_28887,dsstox_rid_83155 PubChem CID: 9910986 IUPAC Name: 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;hydrochloride SMILES: CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.Cl

PubChem CID 9910986
CAS 131740-09-5
Molecular Weight (g/mol) 438.301
SMILES CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.Cl
Synonym flavopiridol hydrochloride,alvocidib hydrochloride,alvocidib hcl,unii-d48ms3a6n9,flavopiridol alvocidib hcl,alvocidib hydrochloride usan,flavopiridol hcl,dsstox_cid_28887,dsstox_rid_83155
IUPAC Name 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one;hydrochloride
InChI Key LGMSNQNWOCSPIK-LWHGMNCYSA-N
Molecular Formula C21H21Cl2NO5
5

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

PubChem CID 667594
CAS 472981-92-3
Molecular Weight (g/mol) 287.743
SMILES COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl
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
IUPAC Name (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
InChI Key RYAMDQKWNKKFHD-JXMROGBWSA-N
Molecular Formula C16H14ClNO2
6

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

PubChem CID 5281081
CAS 130929-57-6
Molecular Weight (g/mol) 305.29
ChEBI CHEBI:4798
MDL Number MFCD00866580
SMILES CCN(CC)C(=O)C(=C\C1=CC(O)=C(O)C(=C1)[N+]([O-])=O)\C#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
IUPAC Name (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
InChI Key JRURYQJSLYLRLN-BJMVGYQFSA-N
Molecular Formula C14H15N3O5
7

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

PubChem CID 6433141
CAS 54-84-2
Molecular Weight (g/mol) 376.943
SMILES CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
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
IUPAC Name (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride
InChI Key LXGJPDKYMJJWRB-IERUDJENSA-N
Molecular Formula C20H25ClN2OS
9

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

PubChem CID 680502
CAS 545395-94-6
Molecular Weight (g/mol) 337.419
SMILES CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC3=C(C=C2)OCCO3
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
IUPAC Name (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
InChI Key GZTFUVZVLYUPRG-IZZDOVSWSA-N
Molecular Formula C21H23NO3
10

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

PubChem CID 5281847
CAS 82-08-6
Molecular Weight (g/mol) 516.546
ChEBI CHEBI:8899
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
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
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
InChI Key DEZFNHCVIZBHBI-ZHACJKMWSA-N
Molecular Formula C30H28O8
11

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

PubChem CID 57522038
CAS 1374516-07-0
Molecular Weight (g/mol) 364.416
SMILES CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)COC3=CC=C(C=C3)CCC(=O)O
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
IUPAC Name 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
InChI Key LPGBXHWIQNZEJB-UHFFFAOYSA-N
Molecular Formula C23H21FO3
12

4EGI-1, Tocris Bioscience™

CAS: 315706-13-9 Molecular Formula: C18H12Cl2N4O4S Molecular Weight (g/mol): 451.28 MDL Number: MFCD02330020 InChI Key: KFRKRECSIYXARE-UHFFFAOYSA-N Synonym: 2e-2-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazin-1-ylidene-3-2-nitrophenyl propanoic acid,2z-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazinylidene-3-2-nitrophenyl propanoic acid,2-4-3,4-dichlorophenyl thiazol-2 3h-ylidene hydrazono-3-2-nitrophenyl propanoic acid PubChem CID: 6911989 IUPAC Name: 2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}-3-(2-nitrophenyl)propanoic acid SMILES: OC(=O)C(CC1=CC=CC=C1[N+]([O-])=O)=NNC1=NC(=CS1)C1=CC(Cl)=C(Cl)C=C1

PubChem CID 6911989
CAS 315706-13-9
Molecular Weight (g/mol) 451.28
MDL Number MFCD02330020
SMILES OC(=O)C(CC1=CC=CC=C1[N+]([O-])=O)=NNC1=NC(=CS1)C1=CC(Cl)=C(Cl)C=C1
Synonym 2e-2-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazin-1-ylidene-3-2-nitrophenyl propanoic acid,2z-2-4-3,4-dichlorophenyl-1,3-thiazol-2-yl hydrazinylidene-3-2-nitrophenyl propanoic acid,2-4-3,4-dichlorophenyl thiazol-2 3h-ylidene hydrazono-3-2-nitrophenyl propanoic acid
IUPAC Name 2-{2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazin-1-ylidene}-3-(2-nitrophenyl)propanoic acid
InChI Key KFRKRECSIYXARE-UHFFFAOYSA-N
Molecular Formula C18H12Cl2N4O4S
13

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

PubChem CID 15991416
CAS 881970-80-5
Molecular Weight (g/mol) 376.405
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
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
IUPAC Name 3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one
InChI Key IWFKQTWYILKFGE-UHFFFAOYSA-N
Molecular Formula C21H13FN2O2S
14

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

PubChem CID 1880
CAS 38183-03-8
Molecular Weight (g/mol) 254.24
MDL Number MFCD00006836
SMILES OC1=CC=C2C(=O)C=C(OC2=C1O)C1=CC=CC=C1
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
IUPAC Name 7,8-dihydroxy-2-phenyl-4H-chromen-4-one
InChI Key COCYGNDCWFKTMF-UHFFFAOYSA-N
Molecular Formula C15H10O4
15

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

PubChem CID 5280445
CAS 491-70-3
Molecular Weight (g/mol) 286.239
ChEBI CHEBI:15864
SMILES C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
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
IUPAC Name 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
InChI Key IQPNAANSBPBGFQ-UHFFFAOYSA-N
Molecular Formula C15H10O6