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Carpaine

CAT: 0013-GTR19206327-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206327-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Carpaine is a natural alkaloid with antimalarial activity, showing an IC50 of ~4μM against P. falciparum in vitro. It also exhibits cardioprotective and anti-inflammatory properties in research models by modulating FAK, ERK1/2, and AKT signaling pathways and reducing oxidative stress.
CAS Number
3463-92-1
Product Name Alternative
Carpaine
Field of Research
Cardiovascular Research, Immunology & Inflammation, Infectious Disease & Virology, Signal Transduction
Purity
99.39% (May vary between batches)
Smiles
C[C@H]1[C@@]2 (CC[C@] (N1) (CCCCCCCC (=O) O[C@@]3 ([C@H] (C) N[C@] (CCCCCCCC (=O) O2) (CC3) [H]) [H]) [H]) [H]
Molecular Formula
C28H50N2O4
Molecular Weight
478.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carpaine

Carpaine is an alkaloid that forms a major component of the papaya leaves and has been shown to exhibit cardiovascular effects. It has a role as a cardiovascular drug and a plant metabolite. It is a macrodiolide and an alkaloid.

CAS Number3463-92-1
PubChem CID442630
IUPAC Name(1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione
Molecular FormulaC28H50N2O4
Molecular Weight478.7
XLogP6.3
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count34
Formal Charge0
Complexity561
SMILES
C[C@H]1[C@@H]2CC[C@H](N1)CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O2)N[C@H]3C
InChI
InChI=1S/C28H50N2O4/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25/h21-26,29-30H,3-20H2,1-2H3/t21-,22-,23+,24+,25-,26-/m0/s1
InChIKey
AMSCMASJCYVAIF-QCVMBYIASA-N
Chemical Structure
2D Structure
2D structure of Carpaine
CAS: 3463-92-1
CID: 442630
Formula: C28H50N2O4
MW: 478.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.7
XLogP36.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass478.37705808
Monoisotopic Mass478.37705808
Topological Polar Surface Area76.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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