VB 201

CAT: 0931-T29099LSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T29099LSize:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

630112-41-3

Target

TLR, Endogenous Metabolite

Related Pathways

Metabolism, Immunology/Inflammation

Purity

>99.99%

Bioactivity

VB 201 is an oxidized phospholipid small molecule with anti-inflammatory activity that inhibits CD14 and Toll-like receptor 2-dependent innate cell activation and limits atherosclerosis, and can be used to study atherosclerosis.

Smiles

[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])(COCCCCCCCCCCCCCCCC)OCCCCC(O)=O

Molecular Formula

C29H60NO8P

Molecular Weight

581.76

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Vb-201

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

CAS Number	630112-41-3
PubChem CID	45138527
IUPAC Name	[(2R)-2-(4-carboxybutoxy)-3-hexadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular Formula	C29H60NO8P
Molecular Weight	581.8
XLogP	6.7
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	30
Heavy Atom Count	39
Formal Charge	0
Complexity	606

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

CAS: 630112-41-3

CID: 45138527

Formula: C29H60NO8P

MW: 581.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	581.8
XLogP3	6.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	30
Exact Mass	581.40565487
Monoisotopic Mass	581.40565487
Topological Polar Surface Area	114 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	606
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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VB 201

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