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Screening compounds

Stampidine

Also known as L-Alanine, N-(P-(4-bromophenyl)-2',3'-didehydro-3'-deoxy-5'-thymidylyl)-, methyl ester, stavudine-5'-(p-bromophenyl methoxyalaninyl phosphate), methyl (2R)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate

CAS 217178-62-6Formula C20H23BrN3O8PMolar mass 544.30 g/mol
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Stampidine chemical structure, C20H23BrN3O8P, CAS 217178-62-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
217178-62-6
Formula
C20H23BrN3O8P
Molar mass
544.30 g/mol
HS code
293499
Category
Screening compounds

What is Stampidine?

Plain description, key identifiers and synonyms

Stampidine is a chemical substance with the molecular formula C20H23BrN3O8P and a molar mass of 544.30 g/mol. Its CAS registry number is 217178-62-6. The IUPAC name is methyl (2R)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (2R)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
CAS number
217178-62-6 CAS number cross-checked
Molecular formula
C20H23BrN3O8P
UNII
MHN9I3MQ1X
InChIKey
VPABMVYNSQRPBD-AOJMVMDXSA-N
InChI
InChI=1S/C20H23BrN3O8P/c1-12-10-24(20(27)22-18(12)25)17-9-8-16(31-17)11-30-33(28,23-13(2)19(26)29-3)32-15-6-4-14(21)5-7-15/h4-10,13,16-17H,11H2,1-3H3,(H,23,28)(H,22,25,27)/t13-,16+,17-,33?/m1/s1
Canonical SMILES
COC(=O)C(C)NP(=O)(OCC1C=CC(n2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(Br)cc1
Isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@H](C)C(=O)OC)OC3=CC=C(C=C3)Br

Synonyms

  • L-Alanine, N-(P-(4-bromophenyl)-2',3'-didehydro-3'-deoxy-5'-thymidylyl)-, methyl ester
  • stavudine-5'-(p-bromophenyl methoxyalaninyl phosphate)
  • methyl (2R)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate
  • HI 113
  • 2',3'-Didehydro-2',3'-dideoxythymidine-5'-p-bromophenyl methoxy-L-alaninyl phosphate
  • Sampidine
  • phi113
  • Stampidine, >98% (HPLC)
  • Methyl N-[(4-bromophenoxy){[(2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuran-2-yl]methoxy}phosphoryl]-D-alaninate

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
544.30 g/molcalc.
Exact mass
543.0406 Dacalc.
LogP (octanol/water)
2.42calc.
Topological polar surface area
138 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
9calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1ccn(C2C=CC(CO[PH](=O)Oc3ccccc3)O2)c(=O)[nH]1

O=c1ccn(C2C=CC(CO[PH](=O)Oc3ccccc3)O2)c(=O)[nH]1

3 rings, 24 atoms.

1 other chemical share this scaffold

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.

Stampidine suppliers

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Where suppliers are based

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Stampidine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Anti-Retroviral Agents
  • Antiviral Agents

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 Stampidine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Stampidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Stampidine, based on the data on this page

What is Stampidine?

Stampidine is a chemical substance with the molecular formula C20H23BrN3O8P and a molar mass of 544.30 g/mol. Its CAS registry number is 217178-62-6. The IUPAC name is methyl (2R)-2-[[(4-bromophenoxy)-[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl]amino]propanoate.

What is the CAS number of Stampidine?

The CAS registry number of Stampidine is 217178-62-6.

What is the molecular formula and weight of Stampidine?

The molecular formula of Stampidine is C20H23BrN3O8P and its molar mass is 544.30 g/mol.

What is Stampidine used for?

Known uses and roles of Stampidine include building blocks in research and laboratory, screening compounds in research and laboratory, anti-retroviral agents and antiviral agents.

Is Stampidine hazardous?

No GHS hazard classification for Stampidine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Stampidine?

Stampidine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Stampidine?

CompoundList lists 1 supplier of Stampidine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Stampidine?

Suppliers quote Stampidine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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