Phenylbiguanide - 10mM in DMSO , CAS No.102-02-3

CAS: 102-02-3 Cat. No.: P420366 Formula: C₈H₁₁N₅ Peso molecolare: 177.21 Beilstein Registry Number: 12(3)807 PubChem CID: 4780

GRADE & PURITY 10mM in DMSO

Synonyms

BCBcMAP01_000062 | HMS500O04 | KBio2_002359 | NINDS_000282 | Phenyl biguanide | 1-(diaminomethylidene)-2-phenylguanidine | KBio3_002427 | MLS002153449 | NCGC00015783-01 | NCGC00024909-02 | SMR000434198 | Spectrum2_001190 | Spectrum4_000058 | SY053837 | HM

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Usually used in one pot synthesis of:4-chloro-2,5-dihydro-2,5-dioxonaphtho[1,2-d]imidazole-3-carboxylic acid phenyl amide, 6-chloro-8-phenylamino-9H-7,9,11-triaza-cyclohepta[a]naphthalene-5,10-dione,4-dimethylamino-5,10-dioxo-2-phenylimino-5,10-dihydro-2H-benzo[g]quinazoline-1-carboxylic acid amide.

Specifications

Sinonimi

BCBcMAP01_000062 | HMS500O04 | KBio2_002359 | NINDS_000282 | Phenyl biguanide | 1-(diaminomethylidene)-2-phenylguanidine | KBio3_002427 | MLS002153449 | NCGC00015783-01 | NCGC00024909-02 | SMR000434198 | Spectrum2_001190 | Spectrum4_000058 | SY053837 | HM

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

5-HT 3 receptor agonist (EC 50 = 0.64 nM). Increases dopamine release.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Pubchem Sid: 528775254
• Sorrisi canonici: C1=CC=C(C=C1)N=C(N)N=C(N)N
• IUPAC Name: 1-(diaminomethylidene)-2-phenylguanidine
• InChIKey: CUQCMXFWIMOWRP-UHFFFAOYSA-N
• INCHI: 1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
• Isomeri SMILES: C1=CC=C(C=C1)N=C(N)N=C(N)N
• WGK Germania: 3
• RTECS: DU2450000
• PubChem CID: 4780
• Peso molecolare: 177.21
• Beilstein: 12(3)807
• Reaxy-Rn: 610553

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Guanidines
        • Level5 Biguanides
          • Level6 Arylbiguanides
            • Level7 1-arylbiguanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Biguanides - Arylbiguanides
• Direct Parent: 1-arylbiguanides
• Alternative Parents: Benzene and substituted derivatives Carboximidamides Organopnictogen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-arylbiguanide - Benzenoid - Monocyclic benzene moiety - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Imine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 1-arylbiguanides. These are organonitrogen compounds containing a biguanide that is N-arylsubstituted at only the 1-position.
• External Descriptors: guanidines

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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HEK293 (82097 Activities)

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 144 °C
• Peso molecolare: 177.210 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.101 Da
• Monoisotopic Mass: 177.101 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 211.000
• 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

Riferimenti

1. Bufan Yu, Xingxing Duan, Zhaohui Xing, Jiacheng Liu, Yutong Pan, Lei Wang, Jiangshan Chen, Dongge Ma.  (2025)  Multifunctional Biguanide Additive Stabilizes Chloride-Rich Quasi-2D Perovskites for Efficient and Stable Pure-Blue LEDs.  ACS Applied Materials & Interfaces,      [PMID:40757629] [10.1021/acsami.5c12585]