Vpc23019
Also known as VPC 23019, [(2R)-2-amino-2-[(3-octylphenyl)carbamoyl]ethoxy]phosphonic Acid, ((2R)-2-amino-2-((3-octylphenyl)carbamoyl)ethoxy)phosphonic acid
Key facts
What buyers check first
- CAS number
- 449173-19-7
- Formula
- C17H29N2O5P
- Molar mass
- 372.40 g/mol
- HS code
- 292429
- Category
- Aromatic building blocks
What is Vpc23019?
Plain description, key identifiers and synonyms
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.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [(2R)-2-amino-3-(3-octylanilino)-3-oxopropyl] dihydrogen phosphate
- CAS number
- 449173-19-7
- Molecular formula
- C17H29N2O5P
- MDL number
- MFCD19690948
- InChIKey
- MRUSUGVVWGNKFE-MRXNPFEDSA-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
- Canonical SMILES
- CCCCCCCCc1cccc(NC(=O)C(N)COP(=O)(O)O)c1
- Isomeric SMILES
- CCCCCCCCC1=CC(=CC=C1)NC(=O)[C@@H](COP(=O)(O)O)N
Synonyms
- VPC 23019
- [(2R)-2-amino-2-[(3-octylphenyl)carbamoyl]ethoxy]phosphonic Acid
- ((2R)-2-amino-2-((3-octylphenyl)carbamoyl)ethoxy)phosphonic acid
- (R)-2-Amino-3-((3-octylphenyl)amino)-3-oxopropyl dihydrogen phosphate
- (R)-phosphoric acid mono-[2-amino-2-(3-octyl-phenylcarbamoyl)-ethyl] ester
- (R)-2-amino-3-(3-octylphenylamino)-3-oxopropyl dihydrogen phosphate
- [(2R)-2-amino-3-(3-octylanilino)-3-oxopropyl] dihydrogen phosphate
- N-(3-octylphenyl)-O-phosphono-D-serinamide
- VPC 23019?
- (2R)-2-amino-N-(3-octylphenyl)-3-(phosphonooxy)-propanamide
- (2R)-2-amino-3-(3-octylanilino)-3-oxopropyl dihydrogen phosphate
- [(2R)-2-amino-3-(3-octylanilino)-3-oxo-propyl] dihydrogen phosphate
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 372.40 g/molcalc.Computed value |
|---|---|
| Exact mass | 372.1814 Dacalc.Computed value |
| LogP (octanol/water) | 2.96calc.Computed value |
| Topological polar surface area | 121.9 Ųcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 12calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.59calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Vpc23019 suppliers
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Post one free request and suppliers who make or trade Vpc23019 can send you quotes. Your contact details stay private until you accept a quote.
Vpc23019 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Sphingosine 1 Phosphate Receptor Modulators
Roles
- antagonist
- sphingosine-1-phosphate receptor 1 antagonist
- sphingosine-1-phosphate receptor 3 antagonist
- sphingosine-1-phosphate receptor antagonist
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Vpc23019 is traded under.
Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other
- China32.3%
- Switzerland * partner reported13.6%
- Norway * partner reported12.8%
- United States15.9%
- Ireland15.8%
- Germany11.9%
* Partner reported figures, a lower bound.
The HS code shown for Vpc23019 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Vpc23019, based on the data on this page
What is Vpc23019?
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What is the molecular formula and weight of Vpc23019?
What is Vpc23019 used for?
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What is the price of Vpc23019?
Guides for buyers
Practical guides that help when you source, ship or handle Vpc23019
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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