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

CAS: 618-39-3 Cat. No.: B349126 Peso molecular: 120.15 Número EC: 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

Descripción general

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

Sinónimos

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 |

Especificaciones y pureza

Moligand™, ≥95%

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504750557
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750557
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC=C(C=C1)C(=N)N
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

F10 Tclin Coagulation factor X (2 Activities)

Discover Target: F10

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

F2 Tclin Prothrombin (2 Activities)

Discover Target: F2

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

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

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

PLG Tclin Plasminogen (2339 Activities)

Discover Target: PLG

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

PRSS1 Tclin Trypsin I (2306 Activities)

Discover Target: PRSS1

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

F10 Tclin Coagulation factor X (9693 Activities)

Discover Target: F10

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

PRSS2 Tchem Trypsin II (14 Activities)

Discover Target: PRSS2

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

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

PLAT Tclin Tissue-type plasminogen activator (1057 Activities)

Discover Target: PLAT

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

PLAU Tchem Urokinase-type plasminogen activator (2016 Activities)

Discover Target: PLAU

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

ACR Tchem Acrosin (277 Activities)

Discover Target: ACR

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

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

ST14 Tchem Matriptase (677 Activities)

Discover Target: ST14

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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

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

Discover Target: EHMT2

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

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

Discover Target: F7

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

Objetivos asociados (no humanos)

Trypsin (394 Activities)

Explore this target

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

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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

Sus scrofa (849 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Punto de inflamación (°C): 79.9ºC
• Punto de ebullición (°C): ~208.5° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 42.90° C (Predicted)
• Peso molecular: 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

Referencias

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]