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Phenylbiguanide - 98%, high purity , CAS No.102-02-3

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
P160522
Grouped product items
SKU Size
Availability
 Price Qty
P160522-1g
1g
3
$45.90
P160522-5g
5g
2
$173.90
P160522-25g
25g
2
$782.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

5-HT 3 receptor agonist

View related series
5-HT Receptor (264) Class A GPCR (4138) GPCR/G Protein (3172) Neuronal Signaling (3320) Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

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
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms 5-HT 3 receptor agonist (EC 50 = 0.64 nM). Increases dopamine release.
Shipped In Normal
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organic nitrogen compounds
Class 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
Description 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

Associated Targets(Human)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (0 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
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)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BLM Tchem Bloom syndrome protein (4248 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ITGB3 Tclin Integrin alpha-V/beta-3 (2708 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TAAR5 Tchem Trace amine-associated receptor 5 (2 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hepatitis C virus (23859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Taar1 Trace amine-associated receptor 1 (899 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Htr3a Serotonin 3 (5-HT3) receptor (1834 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504750813
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504750813
IUPAC Name 1-(diaminomethylidene)-2-phenylguanidine
INCHI 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)
InChIKey CUQCMXFWIMOWRP-UHFFFAOYSA-N
Smiles C1=CC=C(C=C1)N=C(N)N=C(N)N
Isomeric SMILES C1=CC=C(C=C1)N=C(N)N=C(N)N
WGK Germany 3
RTECS DU2450000
PubChem CID 4780
Molecular Weight 177.21
Beilstein 12(3)807
Reaxy-Rn 610553

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number Certificate Type Date Item
K2021032 Certificate of Analysis Sep 14, 2024 P160522
K2021031 Certificate of Analysis Sep 14, 2024 P160522
K2021030 Certificate of Analysis Sep 14, 2024 P160522

Chemical and Physical Properties

Melt Point(°C) 144 °C
Molecular Weight 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

Solution Calculators

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