Phenamil Hydrate - Moligand™, ≥95% , Channel blocker of TRPP2, CAS No.2038-35-9, Channel blocker of TRPP2

CAS: 2038-35-9 Cat. No.: P335535 Molecular Weight: 305.72 (anhy)

GRADE & PURITY Moligand™, ≥95%

Synonyms

Bio1_001134 | NCGC00162311-03 | Bio1_000645 | HMS3402H15 | MLS002172443 | Bio2_000153 | CID 5353878 | NCGC00162311-06 | SMR003929926 | Bio1_000156 | 3,5-diamino-N-[(1E)-amino(phenylamino)methylidene]-6-chloropyrazine-2-carboxamide | CBiol_001870 | BDBM115

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Phenamil is an amiloride analog. Irreversibly blocks ENaC (amiloride-sensitive Na|+|channels).Phenamil is a compound that promotes bone repair and regulates stem cell differentiation. It can activate the bone morphogenetic protein signaling pathway to promote bone repair, but it also induces adipogenesis. A specific 3D scaffold strategy can improve its induced osteogenic differentiation and reduce adipogenesis.

Specifications

Synonyms

Bio1_001134 | NCGC00162311-03 | Bio1_000645 | HMS3402H15 | MLS002172443 | Bio2_000153 | CID 5353878 | NCGC00162311-06 | SMR003929926 | Bio1_000156 | 3, 5-diamino-N-[(1E)-amino(phenylamino)methylidene]-6-chloropyrazine-2-carboxamide | CBiol_001870 | BDBM115

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of TRPP2

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)N=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
• IUPAC Name: 3,5-diamino-6-chloro-N-(N'-phenylcarbamimidoyl)pyrazine-2-carboxamide
• InChIKey: NIOHELZQFBGCEO-UHFFFAOYSA-N
• INCHI: 1S/C12H12ClN7O/c13-8-10(15)19-9(14)7(18-8)11(21)20-12(16)17-6-4-2-1-3-5-6/h1-5H,(H4,14,15,19)(H3,16,17,20,21)
• Isomeric SMILES: C1=CC=C(C=C1)N=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
• WGK Germany: 3
• Alternate CAS: 1161-94-0
• Molecular Weight: 305.72 (anhy)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrazines
• Alternative Parents: Imidolactams Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring.
• External Descriptors: pyrazines - carboxamide

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

Associated Targets(Human)

SCNN1A Tclin Amiloride-sensitive sodium channel subunit alpha (1 Activities)

Discover Target: SCNN1A

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

PKD2L1 Tchem Polycystic kidney disease 2-like 1 protein (1 Activities)

Discover Target: PKD2L1

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

SCNN1A Tclin Amiloride-sensitive sodium channel alpha-subunit (48 Activities)

Discover Target: SCNN1A

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

SH-SY5Y (11521 Activities)

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HEK293 (82097 Activities)

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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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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

NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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

RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

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Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (partly), DMSO (15 mg/ml), and 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin (2.5 mg/ml). Insoluble in 0.1 M HCl, and dilute aquueous acid .
• Refractive Index: n20D1.76 (Predicted)
• Boil Point(°C): 621.7° C at 760 mmHg (Predicted) (tautomer)
• Melt Point(°C): 258-260° C
• Molecular Weight: 305.720 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 305.079 Da
• Monoisotopic Mass: 305.079 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 399.000
• 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