DICL_CP_0311949 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0311949

PubChem CID

1103

Molecular Formula

C₁₀H₂₆N₄

Molecular Weight

202.346 g/mol

Synonyms/Alias

[spermine; 71-44-3; musculamine; neuridine; gerontine; Spermin; 4;9-Diaza-1;12-dodecanediamine; N;N-Bis(3-aminopropyl)-1;4-butanediamine; Spermine; puriss; Diaminopropyltetramethylenediamine; N;N-Bis(...[spermine; 71-44-3; musculamine; neuridine; gerontine; Spermin; 4;9-Diaza-1;12-dodecanediamine; N;N-Bis(3-aminopropyl)-1;4-butanediamine; Spermine; puriss; Diaminopropyltetramethylenediamine; N;N-Bis(3-aminopropyl)butane-1;4-diamine; 1;4-Butanediamine; N;N-bis(3-aminopropyl)-; 4;9-Diazadodecamethylenediamine; Gerotine; 1;4-Bis(aminopropyl)butanediamine; 68956-56-9; Spermina; 4;9-Diazadodecane-1;12-diamine; Actilip sp-91; 1;4-Bis(aminopropyl) butanediamine; N1;N1-(Butane-1;4-diyl)bis(propane-1;3-diamine); NSC 268508; 1;4-Diaminobutane; N;N-bis(3-aminopropyl)-; BRN 1750791; 1;5;10;14-Tetraazatetradecane; UNII-2FZ7Y3VOQX; 2FZ7Y3VOQX; AI3-26633; EINECS 200-754-2; Spermine free base; NSC-268508; CHEBI:15746; MFCD00008215; NSC 268508; Neuridine; CHEMBL23194; DTXSID9058781; N;N-Bis(3-aminopropyl)-1;4-diaminobutane; N1;N4-bis(3-aminopropyl)-1;4-butanediamine; diaminopropyl-tetramethylenediamine; 4-04-00-01301 (Beilstein Handbook Reference); NSC268508; 71-44-3 (FREE BASE); (3-aminopropyl)({4-[(3-aminopropyl)amino]butyl})amine; spermidine 3HCl; 1;4-Butanediamine; N1;N4-bis(3-aminopropyl)-; 71052-31-8; SPM; MLS002472980; C10H26N4; Spermina [Italian]; SMR001397086; Spermine puriss; EINECS 273-309-3; 4;12-diamine; Spermine; >=97%; Tocris-0958; SPERMINE [MI]; Lopac-S-2876; Biomol-NT_000213; bmse000117; EC 273-309-3; NCIMech_000206; Spermine; min. 98.0%; Lopac0_001077; SCHEMBL14965; WLN: Z3M4M3Z; GTPL710; Spermine; analytical standard; BPBio1_001086; DTXCID8046872; BDBM79403; cid_5351186; 1; N;N-bis(3-aminopropyl)-; Spermine; >=99.0% (GC); HY-B1777; CCG-35276; HB0588; HSCI1_000212; s3948; AKOS024258603; DB00127; SB38410; SDCCGSBI-0051047.P003; N1;N4-bis(3-aminopropyl)-butanediamine; NCGC00015941-01; NCGC00015941-02; NCGC00015941-03; NCGC00015941-04; NCGC00015941-05; NCGC00015941-10; NCGC00024902-01; NCGC00024902-02; NCGC00024902-03; AS-35114; BP-21388; NCI60_035280; DB-055526; CS-0013806; N;Na?Bis(3-aminopropyl)-1;4-diaminobutane; NS00014922; Spermine; Vetec(TM) reagent grade; >=97%; N;N-bis(3-aminopropyl)butane-1;4-diamine; N1;N4-Bis(3-aminopropyl)butane-1;4-diamine; C00750; EN300-175597; S-7400; Z-1049; A866441; L001114; n1;n1-(butane-1;4-diyl)dipropane-1;3-diamine; Q424597; N;N-Bis(3-aminopropyl)-1;4-tetramethylenediamine; Z1269219211; 2B445AED-6284-43E4-82FE-39598858D67F; 3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;hydrochloride; N;N-bis(3-aminopropyl)butane-1;4-diamine;hydrochloride; N;N-bis(3-azanylpropyl)butane-1;4-diamine;hydrochloride; Spermine; BioReagent; amorphous semi-solid; suitable for cell culture]

InChI Key

PFNFFQXMRSDOHW-UHFFFAOYSA-N

InChI

InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2

IUPAC Name

N,N-bis(3-aminopropyl)butane-1,4-diamine

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

14 13 0 0 0 0 0 0 0 0999 V2000
-0.6528 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6528 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9451 -0...

Download SDF File (1259 bytes)

Experimental Data

Activity Data

Target Ion Channel

Transient receptor potential cation channel subfamily M member 7

Uniprot Accession Number

Q96QT4

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 2300 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

100 mV mV

Temperature

22 °C

Test Method

Patch-clamping

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1111/j.1476-5381.2012.01855.x

URL

N/A (Not available)

PMID

22242975

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

-0.3566

Complexity

62.3162

TPSA (Å²)

76.1

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