Guanidinobenzoic acids and derivatives

Description:

Aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).

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  1. 4-Guanidino-2-methoxybenzoic acid
    CAS: 173731-96-9 PubChem CID: 17834335 Formula: C9H11N3O3 Molecular Weight: 209.2
    Out of Stock Item #: G729073
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    Technical Identifiers
    IUPAC Name
    4-(diaminomethylideneamino)-2-methoxybenzoic acid
    SMILES
    COC1=C(C=CC(=C1)N=C(N)N)C(=O)O
    InChIKey
    GYYCWERYJWNAKZ-UHFFFAOYSA-N
    InChI
    1S/C9H11N3O3/c1-15-7-4-5(12-9(10)11)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)(H4,10,11,12)
  2. 4-Guanidinobenzoic acid
    CAS: 16060-65-4 EC Number: 813-388-9 PubChem CID: 159772 Formula: C8H9N3O2 Molecular Weight: 179.18
    Solid ≥95%
    Out of Stock Item #: G696037
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    Technical Identifiers
    IUPAC Name
    4-(diaminomethylideneamino)benzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)N=C(N)N
    InChIKey
    SXTSBZBQQRIYCU-UHFFFAOYSA-N
    InChI
    1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
    Synonyms
    4-[(Aminoiminomethyl)amino]benzoic acid | 4-guanidinobenzoate | 4-(diaminomethylideneamino)benzoate | 4-(diaminomethy...
  3. nafamostat
    CAS: 81525-10-2 Formula: C19H17N5O2 Molecular Weight: 347.37
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    Out of Stock Item #: N612138
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    Technical Identifiers
    IUPAC Name
    (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate
    SMILES
    C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N
    InChIKey
    MQQNFDZXWVTQEH-UHFFFAOYSA-N
    InChI
    1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
    Synonyms
    6-amidino-2-naphthyl p-guanidinobenzoate | HY-B0190 | 6-Amidino2-naphthyl 4-guanidinobenzoate | AB01566816_01 | HMS37...
  4. WNY0824
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: W614873
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    Technical Identifiers
    IUPAC Name
    4-[[(4R)-5-(cyclohexylmethyl)-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
    SMILES
    CC[C@H]1N(CC2CCCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2n2c(C)nnc12
    InChIKey
    QUMCIHKVKQYNPA-RUZDIDTESA-N
    InChI
    1S/C31H43N9O2/c1-5-25-29-37-36-20(2)40(29)26-18-32-31(35-28(26)39(25)19-21-9-7-6-8-10-21)34-24-12-11-22(17-27(24)42-4)30(41)33-23-13-15-38(3)16-14-23/show more
    Synonyms
    compound 9b;PLK1/BRD4-IN-1;WNY-0824
  5. 4-Guanidinobenzoic Acid Hydrochloride
    CAS: 42823-46-1 Formula: C8H9N3O2·HCl Molecular Weight: 215.64
    In Stock Item #: G156845
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    Technical Identifiers
    IUPAC Name
    4-(diaminomethylideneamino)benzoic acid;hydrochloride
    SMILES
    C1=CC(=CC=C1C(=O)O)N=C(N)N.Cl
    InChIKey
    YETFLAUJROGBMC-UHFFFAOYSA-N
    InChI
    1S/C8H9N3O2.ClH/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13)(H4,9,10,11);1H
    Synonyms
    A6946 | SY005675 | SCHEMBL273175 | DTXSID40195500 | YETFLAUJROGBMC-UHFFFAOYSA-N | 4-{[amino(imino)methyl]amino}benzoi...
  6. 4-Guanidinobenzoic Acid Methanesulfonate
    CAS: 148720-07-4 PubChem CID: 44630314 Formula: C8H9N3O2·CH4O3S Molecular Weight: 275.28
    Solid ≥95%
    In Stock Item #: G156846
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    Technical Identifiers
    IUPAC Name
    4-(diaminomethylideneamino)benzoic acid;methanesulfonic acid
    SMILES
    CS(=O)(=O)O.C1=CC(=CC=C1C(=O)O)N=C(N)N
    InChIKey
    NGBBXMQQIAFCGF-UHFFFAOYSA-N
    InChI
    1S/C8H9N3O2.CH4O3S/c9-8(10)11-6-3-1-5(2-4-6)7(12)13;1-5(2,3)4/h1-4H,(H,12,13)(H4,9,10,11);1H3,(H,2,3,4)
    Synonyms
    DTXSID20659913 | G0248 | 4-Guanidinobenzoic acid compound with methanesulfonic acid (1:1) | YFA72007 | SCHEMBL7563601...
  7. Nafamostat Mesylate
    CAS: 82956-11-4 Formula: C19H17N5O2·2CH4O3S Molecular Weight: 539.58
    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 #: N129262
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    Technical Identifiers
    IUPAC Name
    (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate;methanesulfonic acid
    SMILES
    CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N
    InChIKey
    SRXKIZXIRHMPFW-UHFFFAOYSA-N
    InChI
    1S/C19H17N5O2.2CH4O3S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,show more
    Synonyms
    FUT-175 | 6-amidino-2-naphthyl 4-guanidino-benzoate dimethanesulphonate | CCG-207877 | Nafamstat | 6-AMIDINO-2-NAPHTH...
  8. Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate
    CAS: 641569-96-2 PubChem CID: 44181764 Formula: C11H15N3O2·HNO3 Molecular Weight: 284.27
    In Stock Item #: E156407
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    Technical Identifiers
    IUPAC Name
    ethyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid
    SMILES
    CCOC(=O)C1=CC(=C(C=C1)C)N=C(N)N.[N+](=O)(O)[O-]
    InChIKey
    YQMZYKJPGMVZJL-UHFFFAOYSA-N
    InChI
    1S/C11H15N3O2.HNO3/c1-3-16-10(15)8-5-4-7(2)9(6-8)14-11(12)13;2-1(3)4/h4-6H,3H2,1-2H3,(H4,12,13,14);(H,2,3,4)
    Synonyms
    Nitric acid--ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate (1/1) | Ethyl 3-Carbamimidoylamino-p-toluate Nitrat...
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