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Benzodiazepines

Description:

Organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
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  1. L-740093
    Cas Number: 154967-59-6        Compound CID:  132980
    IUPAC Name:  1-[(3R)-5-(3-azabicyclo[3.2.2]nonan-3-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
    SMILES:  Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2
    InChIKey: QYERABWMFRRINX-XWEVFREBSA-N
    InChI:  InChI=1S/C26H31N5O2/c1-17-6-5-7-20(14-17)27-26(33)29-23-25(32)30(2)22-9-4-3-8-21(22)24(28-23)31-15-18-10-11-19(16-31)13-12-18/h3-9,14,18-19,23H,10-13,show more
    Synonyms: 1-[(R)-5-(3-Aza-bicyclo[3.2.2]non-3-yl)-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea | N-...
  2. GV150013
    Cas Number: 167355-22-8        Compound CID:  5311147
    Formula:  C33H34N4O3        Molecular Weight: 534.65
    IUPAC Name:  1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea
    SMILES:  O=C(N[C@H]1C(=O)N(c2ccccc2)c2c(N(C1=O)CC13CC4CC(C3)CC(C1)C4)cccc2)Nc1ccccc1
    InChIKey: RZERRLOTRSJIAW-NEPGVILWSA-N
    InChI:  InChI=1S/C33H34N4O3/c38-30-29(35-32(40)34-25-9-3-1-4-10-25)31(39)37(26-11-5-2-6-12-26)28-14-8-7-13-27(28)36(30)21-33-18-22-15-23(19-33)17-24(16-22)20-show more
    Synonyms: GV150013 | GV-150013 | 1-[(3R)-1-(1-adamantylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-3-yl]-3-phenylurea
  3. GW-5823
    IUPAC Name:  2-[3-(2H-indazol-3-ylmethyl)-2,4-dioxo-5-phenyl-1,5-benzodiazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
    SMILES:  COc1ccc(cc1)N(C(=O)CN1C(=O)C(Cc2[nH]nc3c2cccc3)C(=O)N(c2c1cccc2)c1ccccc1)C(C)C
    InChIKey: LGYKPDHARJMLQN-UHFFFAOYSA-N
    InChI:  InChI=1S/C35H33N5O4/c1-23(2)39(25-17-19-26(44-3)20-18-25)33(41)22-38-31-15-9-10-16-32(31)40(24-11-5-4-6-12-24)35(43)28(34(38)42)21-30-27-13-7-8-14-29(show more
    Synonyms: GW 5823;GW5823
  4. ET bromodomain inhibitor
    IUPAC Name:  methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate
    SMILES:  COC(=O)[C@@H]([C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)ccc(c2)OC)CC
    InChIKey: WGMDCNPABCIZCD-UTKZUKDTSA-N
    InChI:  InChI=1S/C23H23ClN4O3/c1-5-17(23(29)31-4)21-22-27-26-13(2)28(22)19-11-10-16(30-3)12-18(19)20(25-21)14-6-8-15(24)9-7-14/h6-12,17,21H,5H2,1-4H3/t17-,21+show more
  5. Cy3B-telenzepine
    SMILES:  O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2
    InChIKey: DGPHRPUJPHDIPO-UHFFFAOYSA-L
    InChI:  InChI=1S/C59H73N7O7S2/c1-38-54-43(37-74-38)57(69)61-46-16-12-13-17-49(46)66(54)53(68)36-63-30-28-62(29-31-63)25-15-11-9-7-6-8-10-14-24-60-52(67)33-39-show more
  6. BODIPY-pirenzepine
    IUPAC Name:  3-[1-difluoroboranyl-5-[(E)-(5-thiophen-2-ylpyrrol-2-ylidene)methyl]pyrrol-2-yl]-N-[6-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyshow more
    SMILES:  O=C(CCc1ccc(n1B(F)F)/C=C/1\C=CC(=N1)c1cccs1)NCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2
    InChIKey: QGXCAYBSIKPOHP-ORIPQNMZSA-N
    InChI:  InChI=1S/C40H43BF2N8O3S/c42-41(43)51-30(14-15-31(51)27-29-13-17-33(46-29)36-12-8-26-55-36)16-18-37(52)44-19-5-1-2-6-21-48-22-24-49(25-23-48)28-38(53)5show more
    Synonyms: Bodipy[558/568]Pirenzepine | BoPz
  7. (7S)-2-(cycloheptylamino)-11-(4-methyl-1,4-diazepane-1-carbonyl)-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-6-one
    SMILES:  CN1CCCN(CC1)C(=O)c1ccc2c(c1)nc1n2[C@@H](C(C)C)C(=O)Nc2c1cc(cc2)NC1CCCCCC1
    InChIKey: MZUNJRMUTJBHGB-LJAQVGFWSA-N
    InChI:  InChI=1S/C32H42N6O2/c1-21(2)29-31(39)35-26-13-12-24(33-23-9-6-4-5-7-10-23)20-25(26)30-34-27-19-22(11-14-28(27)38(29)30)32(40)37-16-8-15-36(3)17-18-37/show more
    Synonyms: compound 2
  8. ClozapineN-Oxide
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 34233-69-7(DMSO)
    Formula:  C18H19ClN4O        Molecular Weight: 342.82
    IUPAC Name:  3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
    SMILES:  C[N+]1(CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42)[O-]
    InChIKey: OGUCZBIQSYYWEF-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
    Synonyms: Clozapine N-oxide|34233-69-7|Clozapine-N-oxide|Clozapine (N-oxide)|CHEMBL1688|MZA8BK588J|3-chloro-6-(4-methyl-4-oxido...
  9. 1,3-Dihydro-4-(2-hydroxyphenyl)-2H-1,5-benzodiazepin-2-one
      Grade & Purity: 
    • ≥97%
    Cas Number: 61487-06-7
    Formula:  C15H12N2O2        Molecular Weight: 252.27
    IUPAC Name:  4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
    SMILES:  C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3O
    InChIKey: HUFCCRRBLQYUTK-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H12N2O2/c18-14-8-4-1-5-10(14)13-9-15(19)17-12-7-3-2-6-11(12)16-13/h1-8,18H,9H2,(H,17,19)
    Synonyms: CCG-324012 | MFCD01961197 | DTXSID50425486 | Oprea1_103028 | (E)-4-(2-Hydroxyphenyl)-1H-benzo[b][1,4]diazepin-2(3H)-o...
  10. Ethyl 8-bromo-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
    Cas Number: 78756-37-3
    Formula:  C15H14BrN3O3        Molecular Weight: 364.19
    IUPAC Name:  ethyl 8-bromo-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
    SMILES:  CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)Br)C
    InChIKey: NFMFVESVKLVYJR-UHFFFAOYSA-N
    InChI:  InChI=1S/C15H14BrN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
    Synonyms: Ethyl 8-bromo-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate | 8-Bromo-5-methyl-6-o...
  11. WAY-299905
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 82408-04-6        Compound CID:  302312
    Formula:  C21H21N3O3        Molecular Weight: 363.42
    IUPAC Name:  9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
    SMILES:  CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C
    InChIKey: UGGUUWQHYLAINX-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H21N3O3/c1-21(2)11-17-19(18(25)12-21)20(13-7-9-14(10-8-13)24(26)27)23-16-6-4-3-5-15(16)22-17/h3-10,20,22-23H,11-12H2,1-2H3
    Synonyms: 82408-04-6|NSC186223|Antioxidant agent-7|3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]...
  12. WAY-299905
      Grade & Purity: 
    • ≥98%
    Cas Number: 82408-04-6        Compound CID:  302312
    Formula:  C21H21N3O3        Molecular Weight: 363.42
    IUPAC Name:  9,9-dimethyl-6-(4-nitrophenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
    SMILES:  CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C
    InChIKey: UGGUUWQHYLAINX-UHFFFAOYSA-N
    InChI:  InChI=1S/C21H21N3O3/c1-21(2)11-17-19(18(25)12-21)20(13-7-9-14(10-8-13)24(26)27)23-16-6-4-3-5-15(16)22-17/h3-10,20,22-23H,11-12H2,1-2H3
    Synonyms: HMS574P08 | Oprea1_688109 | Antioxidant agent-7 | 11-(4-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydrodibenzo[b,e]...
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