CAS Number206752-36-5
SynonymsEINECS 216-795-4; Benzenecarboximidamide hydrochloride hydrate; Benzamidine HCl Hydrate; MFCD00066285; Benzenecarboximidamide, hydrochloride, hydrate (1:1:1); AMIDINOBENZENE HYDROCHLORIDE; Benzamidine hydrochloride, hydrate; Benzamidine hydrochloride hydrate; Benzamidine Hydrochloride Monohydrate; Benzamidinium chloride
Molecular FormulaC7H8N2.ClH.xH2O
Molecular Weight120.15 (anhydrous free base basis)
Purity≥98.5 (HPLC)%
Boiling Point208.5ºC at 760mmHg
Melting Point80-84 °C
Appearancepowder
Symbol
Signal WordWarning
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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 206752-36-5 |
| Catalog No. | 2A-9055381 |
| Chinese Name | 盐酸苯甲脒,水合物 |
| Synonyms | EINECS 216-795-4; Benzenecarboximidamide hydrochloride hydrate; Benzamidine HCl Hydrate; MFCD00066285; Benzenecarboximidamide, hydrochloride, hydrate (1:1:1); AMIDINOBENZENE HYDROCHLORIDE; Benzamidine hydrochloride, hydrate; Benzamidine hydrochloride hydrate; Benzamidine Hydrochloride Monohydrate; Benzamidinium chloride |
| Molecular Formula | C7H8N2.ClH.xH2O |
| Molecular Weight | 120.15 (anhydrous free base basis) |
| Purity | ≥98.5 (HPLC) |
| Boiling Point | 208.5ºC at 760mmHg |
| Melting Point | 80-84 °C |
| Appearance | powder |
| Water Solubility | soluble |
| Storage Condition | Sealed in a cool, dry environment at 0-6 ºC |
| Application | Benzimide hydrochloride hydrate (1:1:x) (benzimide hydrochloride hydrate) is a reversible competitive trypsin-like serine protease inhibitor with Kis of 20, 21, 97, 110, 320 and 750 μM for trypsin, tr |
| MDL Number | MFCD00066285 |
| SMILES | [N+H3]\C(=N\[H])\c1ccccc1 |
| InChI | 1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1 |
| InChI Key | PXXJHWLDUBFPOL-UHFFFAOYSA-O |
| NACRES Code | NA.22 |
| UNSPSC | 12352107 |
| Hazard Symbols | transportation |
| MSDS | msds/55381_1_206752_36_5.pdf |
| Bioactivity | Benzenecarboximidamide, hydrochloride, hydrate (1:1:x) (Benzamidine hydrochloride hydrate) is a reversible competitive trypsin-like serine proteases inhibitor with Kis of 20, 21, 97, 110, 320 and 750 μM against Tryptase, Trypsin, uPA, Factor Xa, Thrombin and tPA, respectively[1][2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Ser/Thr Protease Research Areas >> Cancer Target Ki: 20 μM (Tryptase), 21 μM (Trypsin), 97 μM (uPA), 110 μM (Factor Xa), 320 μM (Thrombin), 750 μM (tPA)[1] References [1]. Katz BA, et al. Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol. 2000 Apr;7(4):299-312. [2]. Tanizawa K, et al. Proteolytic enzymes. VI. Aromatic amidines as competitive inhibitors of trypsin. J Biochem. 1971 May;69(5):893-9. Chemical & Physical Properties Boiling Point 208.5ºC at 760mmHg Melting Point 86-88 °C(lit.) Molecular Formula C7H8N2.ClH.xH2O Molecular Weight 174.628 Flash Point 79.9ºC Exact Mass 174.055984 PSA 59.10000 LogP 2.50840 Vapour Pressure 0.213mmHg at 25°C InChIKey BQVJCMMLDJPBFZ-UHFFFAOYSA-N SMILES Cl.N=C(N)c1ccccc1.O Storage condition 0-6°C Water Solubility soluble |
| Use of | Benzenecarboximidamide, hydrochloride, hydrate (1:1:x) (Benzamidine hydrochloride hydrate) is a reversible competitive trypsin-like serine proteases inhibitor with Kis of 20, 21, 97, 110, 320 and 750 μM against Tryptase, Trypsin, uPA, Factor Xa, Thrombin and tPA, respectively[1][2]. Properties Name benzenecarboximidamide,hydrate,hydrochloride Synonym More Synonyms Biological Activity Description Benzenecarboximidamide, hydrochloride, hydrate (1:1:x) (Benzamidine hydrochloride hydrate) is a reversible competitive trypsin-like serine proteases inhibitor with Kis of 20, 21, 97, 110, 320 and 750 μM against Tryptase, Trypsin, uPA, Factor Xa, Thrombin and tPA, respectively[1][2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Ser/Thr Protease Research Areas >> Cancer Ki: 20 μM (Tryptase), 21 μM (Trypsin), 97 μM (uPA), 110 μM (Factor Xa), 320 μM (Thrombin), 750 μM (tPA)[1] References [1]. Katz BA, et al. Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol. 2000 Apr;7(4):299-312. [2]. Tanizawa K, et al. Proteolytic enzymes. VI. Aromatic amidines as competitive inhibitors of trypsin. J Biochem. 1971 May;69(5):893-9. Chemical & Physical Properties Exact Mass 174.055984 PSA 59.10000 LogP 2.50840 InChIKey BQVJCMMLDJPBFZ-UHFFFAOYSA-N Water Solubility soluble |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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