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Fe-TMPyP

CAT: 0013-GTR19197642-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197642-01Size:10 mg
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Description
Fe-TMPyP is a metalloporphyrin compound that binds to the cellular prion protein (PrP) and inhibits its misfolding. It also functions as a peroxynitrite decomposition catalyst, making it a useful research tool for studying prion diseases and oxidative stress in both in vitro and in vivo models.
CAS Number
133314-07-5
Field of Research
Cell Biology
Smiles
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].C[n+]1ccc (cc1) C1=C2C=CC3=[N]2[Fe+3]24[N-]5C1=CC=C5C (=C1C=CC (C (=C5C=CC ([N-]25) =C3c2cc[n+] (C) cc2) c2cc[n+] (C) cc2) =[N]41) c1cc[n+] (C) cc1 |c:8,10,12,20,25,30, t:18,23,28,35,53, ^1:17,19,34,50|
Molecular Formula
C44H36Cl5FeN8
Molecular Weight
909.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FeTMPyP pentachloride

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CAS Number133314-07-5
PubChem CID71433763
IUPAC Name7,12,17,24-tetrakis(1-methylpiperidin-4-yl)-2,22,23,25-tetrazaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-3,5,7,12,14,16,21(24)-heptaene
Molecular FormulaC45H62N8
Molecular Weight715.0
XLogP3.8
Topological Polar Surface Area27.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count53
Formal Charge0
Complexity1590
SMILES
CN1CCC(CC1)C2=C3C=CC4=C(C5CCC6=C(C7=CC=C8N7C(N56)(N34)N9C2CCC9=C8C1CCN(CC1)C)C1CCN(CC1)C)C1CCN(CC1)C
InChI
InChI=1S/C45H62N8/c1-46-21-13-29(14-22-46)41-33-5-7-35-42(30-15-23-47(2)24-16-30)37-9-11-39-44(32-19-27-49(4)28-20-32)40-12-10-38-43(31-17-25-48(3)26-18-31)36-8-6-34(41)51(36)45(50(33)35,52(37)39)53(38)40/h5,7,10,12,29-32,34,37H,6,8-9,11,13-28H2,1-4H3
InChIKey
VTKLWUKNBYRMDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FeTMPyP pentachloride
CAS: 133314-07-5
CID: 71433763
Formula: C45H62N8
MW: 715.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight715.0
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass714.50974401
Monoisotopic Mass714.50974401
Topological Polar Surface Area27.6 Ų
Heavy Atom Count53
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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