Benzamidine - Moligand™, ≥95% , CAS No.618-39-3

CAS: 618-39-3 Cat. No.: B349126 Formule: C₇H₈N₂ Poids moléculaire: 120.15 Numéro CE: 210-546-3

GRADE & PURITY Moligand™, ≥95%

Synonyms

A852076 | AB01943 | Q4890748 | DTXSID8045012 | HMS3370L08 | 1ce5 | 1bra | 1f5k | 1v2s | NCGC00015160-05 | 64F5C29D-34E7-4815-B5F3-CC94EA3D2CAD | NSC243704 | NSC-243704 | 1c5z | 1v2j | 1v2v | 2j9n | Benzamidine (Protonated) | AKOS000201384 | Lopac-B-6506 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Benzamidine was used in the preparation of heparan sulfate-rich proteoglycan from mouse mammary epithelial cells. It has been used to prevent enzymatic degradation during the purification procedure of bovine factor XII (Hageman factor).

Specifications

Synonymes

A852076 | AB01943 | Q4890748 | DTXSID8045012 | HMS3370L08 | 1ce5 | 1bra | 1f5k | 1v2s | NCGC00015160-05 | 64F5C29D-34E7-4815-B5F3-CC94EA3D2CAD | NSC243704 | NSC-243704 | 1c5z | 1v2j | 1v2v | 2j9n | Benzamidine (Protonated) | AKOS000201384 | Lopac-B-6506 |

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

Benzamidine is an inhibitor of plasmin and has been used in the radioimmunoassay of glucagon in human plasma. It prevents the destruction of Thyrotropin-releasing hormone (TRH) added to whole blood in vitro before radioimmunoassay of TRH.

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504750557
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750557
• Sourires canoniques: C1=CC=C(C=C1)C(=N)N
• IUPAC Name: benzenecarboximidamide
• InChIKey: PXXJHWLDUBFPOL-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
• Isomères SMILES: C1=CC=C(C=C1)C(=N)N
• WGK Allemagne: 3
• Poids moléculaire: 120.15
• Reaxy-Rn: 606020
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606020&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carboximidamides Carboxamidines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: carboxamidine - benzenes

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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F10 Tclin Coagulation factor X (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Prothrombin (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Thrombin (11687 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLG Tclin Plasminogen (2339 Activities)

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PRSS1 Tclin Trypsin I (2306 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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F10 Tclin Coagulation factor X (9693 Activities)

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PRSS2 Tchem Trypsin II (14 Activities)

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ARSA Tbio Cerebroside-sulfatase (655 Activities)

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)

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ACR Tchem Acrosin (277 Activities)

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AOX1 Tchem Aldehyde oxidase (429 Activities)

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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

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ST14 Tchem Matriptase (677 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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FEN1 Tchem Flap endonuclease 1 (12055 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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F7 Tchem Coagulation factor VII/tissue factor (740 Activities)

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Trypsin (394 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Sus scrofa (849 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Point d'éclair (°C): 79.9ºC
• Point d'ébullition (°C): ~208.5° C at 760 mmHg (Predicted)
• Point de fusion (°C): 42.90° C (Predicted)
• Poids moléculaire: 120.150 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.069 Da
• Monoisotopic Mass: 120.069 Da
• Topological Polar Surface Area: 49.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Ru Li, Xuan Zou, Pan Luan, Xiaokun Liu, Ning Wang, Qian Wang, Huashi Guan, Zhe Xu.  (2022)  Direct Determination of Enzymes in Dried Blood Spots by High-Performance Liquid Chromatography – Mass Spectrometry (HPLC-MS) for the Screening of Antithrombotic Agents.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2022.2053700]

2. Na Liu, Han Zhang, Jinfeng Zhao, Yin Xu, Fei Ge.  (2019)  Mechanisms of cetyltrimethyl ammonium chloride-induced toxicity to photosystem II oxygen evolution complex of Chlorella vulgaris F1068.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31539660] [10.1016/j.jhazmat.2019.121063]

3. Jiandong Shen, Wei Zhang, Qixing Jiang, Pei Gao, Yanshun Xu, Wenshui Xia.  (2022)  The role of cathepsin L on structural changes of collagen fibers involved in textural deterioration of chilled grass carp (Ctenopharyngodon idella) fillets.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  102  (13): (5858-5866).  [PMID:35426126] [10.1002/jsfa.11935]