DICL_CP_0307084 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0307084

PubChem CID

1727

Molecular Formula

C₅H₆N₂

Molecular Weight

94.117 g/mol

Synonyms/Alias

[4-aminopyridine; 504-24-5; pyridin-4-amine; Fampridine; 4-Pyridinamine; Dalfampridine; 4-Pyridylamine; p-Aminopyridine; 4-AP; Avitrol; Ampyra; gamma-Aminopyridine; FAMPYRA; Compound 1861; Pimadin (fr...[4-aminopyridine; 504-24-5; pyridin-4-amine; Fampridine; 4-Pyridinamine; Dalfampridine; 4-Pyridylamine; p-Aminopyridine; 4-AP; Avitrol; Ampyra; gamma-Aminopyridine; FAMPYRA; Compound 1861; Pimadin (free base); Pyridine; 4-amino-; Amino-4 pyridine; Neurelan; Amaya; Avitrol 200; Phillips 1861; 4 Aminopyridine; Prc 1237; Caswell No. 038; EL-970; VMI 10-3; fampridina; fampridinum; NSC 15041; C5H6N2; HSDB 6037; UNII-BH3B64OKL9; pyridin-4-ylamine; EINECS 207-987-9; BH3B64OKL9; NSC-15041; Fampridine [INN]; BIIB041; EPA Pesticide Chemical Code 069201; BRN 0105782; BIIB 041; .gamma.-Aminopyridine; DTXSID0023870; CHEBI:34385; Dalfampridine [USAN]; AI3-52547; N07XX07; Fampridine (4-aminopyridine); MLS000069400; CHEMBL284348; DTXCID003870; Dalfampridine (4-aminopyridine); 5-22-09-00106 (Beilstein Handbook Reference); NSC15041; MFCD00006439; 286367-79-1; Dalfampridine (USAN); NCGC00015009-08; Pymadine; SMR000058211; Fampridine-SR; DALFAMPRIDINE (II); DALFAMPRIDINE [II]; FAMPRIDINE (MART.); FAMPRIDINE [MART.]; DALFAMPRIDINE (USP-RS); DALFAMPRIDINE [USP-RS]; ACETYL-2-13C CHLORIDE;2;2-DICHLORO- (9CI); VMI-103; DALFAMPRIDINE (USP MONOGRAPH); DALFAMPRIDINE [USP MONOGRAPH]; 4-amino pyridine; 4-amino-pyridine; 4- Aminopyridine; Mi-W-3; 4AP; CAS-504-24-5; Ampyra (TN); VMI 103; SR-01000075299; RCRA waste no. P008; Dalfampridine [USAN:INN]; Frampridine; Ampydin; Pymadin; Fampridine-PR; Dalfampridine-ER; p-amino pyridine; 4-pyridyl amine; para-aminopyridine; pyridine-4-amine; 3rxf; Neurelan (TN); pyridine-4-ylamine; Fampyra (TN); pyridin-4-yl-amine; 4-Aminopyridine 10; Philips 1861; 4-AMINOPYRDINE; Spectrum_000155; Tocris-0940; Fampridine (JAN/INN); 4-Aminopyridine; 98%; FAMPRIDINE [JAN]; PYRIDINE;4-AMINO; Opera_ID_1768; Spectrum2_001413; Spectrum3_000914; Spectrum4_001013; Spectrum5_001501; Lopac-A-0152; DALFAMPRIDINE [MI]; FAMPRIDINE [VANDF]; UPCMLD-DP125; WLN: T6NJ DZ; 4-Aminopyridine (4-AP); 4-Aminopyridine; >=99%; DALFAMPRIDINE [HSDB]; FAMPRIDINE [WHO-DD]; 1;4-dihydropyridin-4-imine; Lopac0_000032; BSPBio_001562; DALFAMPRIDINE [VANDF]; KBioGR_000282; KBioGR_001505; KBioSS_000282; KBioSS_000635; DivK1c_000572; FAMPRIDINE [EMA EPAR]; SPECTRUM1501130; SPBio_001486; 4 AP; BIIB-041; GTPL2416; CL-COB-III-274-1; UPCMLD-DP125:001; BDBM10458; HMS501M14; KBio1_000572; KBio2_000282; KBio2_000635; KBio2_002850; KBio2_003203; KBio2_005418; KBio2_005771; KBio3_000563; KBio3_000564; KBio3_001888; NINDS_000572; Bio1_000353; Bio1_000842; Bio1_001331; Bio2_000282; Bio2_000762; HMS1361O04; HMS1791O04; HMS1921H15; HMS1989O04; HMS2092F05; HMS2234N24; HMS3260G05; HMS3267E21; HMS3370J03; HMS3402O04; HMS3414H15; HMS3678H13; HMS3886I09; KUC111877N; Pharmakon1600-01501130; DALFAMPRIDINE [ORANGE BOOK]; HY-B0604; VMI-10-3; Tox21_110065; Tox21_200793; Tox21_500032; CCG-39031; HB1073; NSC757845; RB8003; s5028; STK298717; AKOS000119896; Tox21_110065_1; BS-3729; DB06637; LP00032; NSC-757845; SDCCGMLS-0066228.P001; SDCCGSBI-0050021.P004; IDI1_000572; IDI1_034032; p-Aminopyridine [UN2671] [Poison]; USEPA/OPP Pesticide Code: 069201; NCGC00015009-01; NCGC00015009-02; NCGC00015009-03; NCGC00015009-04; NCGC00015009-05; NCGC00015009-06; NCGC00015009-07; NCGC00015009-09; NCGC00015009-10; NCGC00015009-11; NCGC00015009-12; NCGC00015009-13; NCGC00015009-14; NCGC00015009-16; NCGC00015009-23; NCGC00015009-24; NCGC00024890-01; NCGC00024890-02; NCGC00024890-03; NCGC00024890-04; NCGC00024890-05; NCGC00024890-06; NCGC00024890-07; NCGC00024890-08; NCGC00024890-09; NCGC00024890-10; NCGC00258347-01; NCGC00260717-01; BP-21343; SBI-0050021.P003; DB-028705; A0414; AM20061261; EU-0100032; NS00002207; EN300-21310; FAMPRIDINE (4-AMINOPYRIDINE) [VANDF]; A 0152; D04127; AB00052209_12; [J.Pharmacol.Exp.Ther. 275:864 (1995)]; AC-907/25014071; Q372539; 4-Aminopyridine; PESTANAL(R); analytical standard; Q-200436; SR-01000075299-1; SR-01000075299-3; SR-01000075299-5; F2190-0487; Z104495272; Dalfampridine; United States Pharmacopeia (USP) Reference Standard; InChI=1/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H;(H2;6;7]

InChI Key

NUKYPUAOHBNCPY-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2/c6-5-1-3-7-4-2-5/h1-4H,(H2,6,7)

IUPAC Name

pyridin-4-amine

CAS Number

N/A (Not available)

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

13 13 0 0 0 0 0 0 0 0999 V2000
-0.0459 1.1941 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4379 1.1432 -0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0894 -0.043...

Download SDF File (1156 bytes)

Experimental Data

Activity Data

Target Ion Channel

Voltage-gated potassium channel mKv1.1 (intracellularly)

Uniprot Accession Number

P16388

Function

Blocker

Species

Mus musculus (Mouse)

IC₅₀

IC₅₀: 117000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

−90 mV mV

Temperature

21−24 °C

Test Method

Patch-clamping

Test Species

CHO cell (Chinese hamster ovary cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1113/jphysiol.1994.sp020183

URL

N/A (Not available)

PMID

7932213

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

0.6638

Complexity

28.6494

TPSA (Å²)

38.91

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties