1,2,4-triazolo[4,3-a][1,4]benzodiazepines

Description:

Aromatic compounds containing a 1,4-benzodiazepine fused to and sharing a nitrogen atom with a 1,2,4-triazole ring.

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  1. Adinazolam
    CAS: 37115-32-5 PubChem CID: 37632
    Out of Stock Item #: A1069342
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    IUPAC Name
    1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
    SMILES
    CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
    InChIKey
    GJSLOMWRLALDCT-UHFFFAOYSA-N
    InChI
    1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
  2. alpha-Hydroxytriazolam
    CAS: 37115-45-0 PubChem CID: 1963 Formula: C17H12Cl2N4O Molecular Weight: 359.21
    Out of Stock Item #: A1353788
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    IUPAC Name
    [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
    SMILES
    C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CO
    InChIKey
    BHUYWUDMVCLHND-UHFFFAOYSA-N
    InChI
    1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2
  3. Molibresib besylate
    CAS: 1895049-20-3 PubChem CID: 133082230 Formula: C28H28ClN5O5S Molecular Weight: 582.07
    Out of Stock Item #: M647322
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    IUPAC Name
    benzenesulfonic acid;2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
    SMILES
    CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C.C1=CC=C(C=C1)S(=O)(=O)O
    InChIKey
    UQGMFOYDYUZADE-FERBBOLQSA-N
    InChI
    1S/C22H22ClN5O2.C6H6O3S/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14;7-10(8,9)6-4-2-1-3-5-6/h5-11,18Hshow more
    Synonyms
    MS-30436 | Molibresib besylate (USAN) | MOLIBRESIB BESYLATE [USAN] | Molibresib besylate | 2-[(4S)-6-(4-Chlorophenyl)...
  4. TC AC 28
    CAS: 1809296-92-1 PubChem CID: 118121364 Formula: C23H21N5O3 Molecular Weight: 415.44
    Out of Stock Item #: T286685
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    IUPAC Name
    methyl 2-[6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
    SMILES
    CC1=NN=C2N1C3=C(C=C(C=C3)OC)C(=NC2CC(=O)OC)C4=C5C=CNC5=CC=C4
    InChIKey
    RARZHTSXOQRRPR-UHFFFAOYSA-N
    InChI
    1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3
    Synonyms
    6-(1H-Indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid methyl ester
  5. 4-Hydroxy-alprazolam
    CAS: 30896-57-2 Formula: C17H13ClN4O Molecular Weight: 324.76
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: H275772
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    IUPAC Name
    8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
    SMILES
    CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2O)C4=CC=CC=C4
    InChIKey
    CEYGCFLPQFNPST-UHFFFAOYSA-N
    InChI
    1S/C17H13ClN4O/c1-10-20-21-16-17(23)19-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(10)16/h2-9,17,23H,1H3
    Synonyms
    UNII-U0COM4319X | RS-4-Hydroxyalprazolam | 4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepin-4-ol, 8-chloro-1-methyl-6-phen...
  6. I-BET762
    CAS: 1260907-17-2 EC Number: 689-172-1 Formula: C22H22ClN5O2 Molecular Weight: 423.9
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    In Stock Item #: I166771
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    Technical Identifiers
    IUPAC Name
    2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
    SMILES
    CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C
    InChIKey
    AAAQFGUYHFJNHI-SFHVURJKSA-N
    InChI
    1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0show more
    Synonyms
    GSK525762 | GSK525762A | UNII-5QIO6SRZ2R | CHEBI:95082 | MOLIBRESIB [WHO-DD] | 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodia...
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