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VB 201

CAT: 0013-GTR19219922Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219922Size:25 mg
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Description
VB 201 is an oxidized phospholipid with anti-inflammatory properties that functions by inhibiting CD14 and TLR2-mediated innate immune cell activation. This mechanism underlies its utility in studying atherosclerosis, as demonstrated in both in vitro cellular assays and in vivo murine models of the disease.
CAS Number
630112-41-3
Field of Research
Immunology & Inflammation, Metabolism Research
Purity
>99.99% (May vary between batches)
Smiles
[C@H] (COP (OCC[N+] (C) (C) C) (=O) [O-]) (COCCCCCCCCCCCCCCCC) OCCCCC (O) =O
Molecular Formula
C29H60NO8P
Molecular Weight
581.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vb-201

VB-201 is under investigation in clinical trial NCT01001468 (Study to Assess VB-201 in Patients With Psoriasis).

CAS Number630112-41-3
PubChem CID45138527
IUPAC Name[(2R)-2-(4-carboxybutoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC29H60NO8P
Molecular Weight581.8
XLogP6.7
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count30
Heavy Atom Count39
Formal Charge0
Complexity606
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCC(=O)O
InChI
InChI=1S/C29H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26-28(36-24-20-18-21-29(31)32)27-38-39(33,34)37-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,34)/t28-/m1/s1
InChIKey
JGGNOCUEWOGWPL-MUUNZHRXSA-N
Chemical Structure
2D Structure
2D structure of Vb-201
CAS: 630112-41-3
CID: 45138527
Formula: C29H60NO8P
MW: 581.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.8
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count30
Exact Mass581.40565487
Monoisotopic Mass581.40565487
Topological Polar Surface Area114 Ų
Heavy Atom Count39
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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