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VPC 23019

CAT: 0013-GTR19155144-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155144-07Size:100 mg
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Description
VPC 23019 is a competitive antagonist at the S1P1 and S1P3 receptors (pKi= 7.86 and 5.93, respectively) . It is also an agonist at the S1P4 and S1P5 receptors (pEC50= 6.58 and 7.07, respectively) .
CAS Number
449173-19-7
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 125 mg/mL (335.66 mM)
Smiles
CCCCCCCCC1=CC (=CC=C1) NC (=O) [C@@H] (COP (=O) (O) O) N
Molecular Formula
C17H29N2O5P
Molecular Weight
372.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Vpc23019

VPC 23019 is a secondary carboxamide resulting from the formal condensation of the carboxy group of O-phospho-D-serine with the amino group of m-octylaniline. An analogue of sphingosine-1-phosphate (S1P), it is a potent antagonist for both S1P1 and S1P3 receptors. It can inhibit S1P-induced migration of thyroid cancer cells, ovarian cancer cells, and neural stem cells. It has a role as a sphingosine-1-phosphate receptor 3 antagonist and a sphingosine-1-phosphate receptor 1 antagonist. It is a secondary carboxamide, an organic phosphate, a phosphoric ester, an aromatic amide and a D-serine derivative. It is functionally related to an O-phospho-D-serine.

CAS Number449173-19-7
PubChem CID11588811
IUPAC Name[(2R)-2-amino-3-(3-octylanilino)-3-oxopropyl] dihydrogen phosphate
Molecular FormulaC17H29N2O5P
Molecular Weight372.4
XLogP0.2
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity429
SMILES
CCCCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](COP(=O)(O)O)N
InChI
InChI=1S/C17H29N2O5P/c1-2-3-4-5-6-7-9-14-10-8-11-15(12-14)19-17(20)16(18)13-24-25(21,22)23/h8,10-12,16H,2-7,9,13,18H2,1H3,(H,19,20)(H2,21,22,23)/t16-/m1/s1
InChIKey
MRUSUGVVWGNKFE-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of Vpc23019
CAS: 449173-19-7
CID: 11588811
Formula: C17H29N2O5P
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP30.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass372.18140903
Monoisotopic Mass372.18140903
Topological Polar Surface Area122 Ų
Heavy Atom Count25
Formal Charge0
Complexity429
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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