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Spermine Prodrug-1

CAT: 0013-GTR19185335-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185335-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Spermine Prodrug-1 is a redox-activated prodrug that inhibits fibroblast proliferation in both wild-type and spermine synthase (SMS) -mutant cell lines, relevant to Snyder-Robinson syndrome research. Its application extends to in vitro studies of polyamine metabolism and the investigation of potential therapeutic strategies for this genetic disorder.
CAS Number
2576358-68-2
Smiles
Cl.Cl.Cl.COC1=C (OC) C (=O) C (=C (C) C1=O) C (C) (C) CC (=O) NCCCNCCCCNCCCN
Molecular Formula
C24H45Cl3N4O5
Molecular Weight
576.0
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Spermine Prodrug-1
CAS Number2576358-68-2
PubChem CID163196247
IUPAC NameN-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3-methylbutanamide;trihydrochloride
Molecular FormulaC24H45Cl3N4O5
Molecular Weight576.0
Topological Polar Surface Area132
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count36
Formal Charge0
Complexity743
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)C(C)(C)CC(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl
InChI
InChI=1S/C24H42N4O5.3ClH/c1-17-19(21(31)23(33-5)22(32-4)20(17)30)24(2,3)16-18(29)28-15-9-14-27-12-7-6-11-26-13-8-10-25;;;/h26-27H,6-16,25H2,1-5H3,(H,28,29);3*1H
InChIKey
LNERPLLMHDYJTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spermine Prodrug-1
CAS: 2576358-68-2
CID: 163196247
Formula: C24H45Cl3N4O5
MW: 576.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.0
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass574.245554
Monoisotopic Mass574.245554
Topological Polar Surface Area132 Ų
Heavy Atom Count36
Formal Charge0
Complexity743
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T64076-01Spermine Prodrug-1
sc-2061891-Naphthylacetyl Spermine
TRC-N377800-10MG1-Naphthylacetyl Spermine Trihydrochloride
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MBS4380686-01Spermidine or Spermine N1-Acetyltransferase 1
26-6454-01Spermine Oligo 1 umol scale
335360Spermidine/spermine N1-acetyltransferase 1
RQ5536SMOX Antibody / Spermine oxidase / PAO-1
V7346-100UGSAT1 Antibody / Spermidine/spermine N (1) -acetyltransferase 1
TRV-027039-01Recombinant Spermidine/Spermine N1-Acetyltransferase 1 (SAT1)

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