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Screening compounds

Psb1115

Also known as PSB 1115, 4-(2,6-dioxo-1-propyl-1,2,3,6-tetrahydropurin-8-yl)benzene-1-sulfonic acid, 4-(2,6-Dioxo-1-Propyl-2,3,6,9-Tetrahydro-1H-Purin-8-Yl)Benzenesulfonic Acid

CAS 152529-79-8Formula C14H14N4O5SMolar mass 350.36 g/mol
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Psb1115 chemical structure, C14H14N4O5S, CAS 152529-79-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
152529-79-8
Formula
C14H14N4O5S
Molar mass
350.36 g/mol
HS code
293359
Category
Screening compounds

What is Psb1115?

Plain description, key identifiers and synonyms

4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid is an oxopurine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
CAS number
152529-79-8 CAS number cross-checked
Molecular formula
C14H14N4O5S
InChIKey
UYDRRQPGDSIMNU-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N4O5S/c1-2-7-18-13(19)10-12(17-14(18)20)16-11(15-10)8-3-5-9(6-4-8)24(21,22)23/h3-6H,2,7H2,1H3,(H,15,16)(H,17,20)(H,21,22,23)
SMILES (canonical and isomeric)
CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O

Synonyms

  • PSB 1115
  • 4-(2,6-dioxo-1-propyl-1,2,3,6-tetrahydropurin-8-yl)benzene-1-sulfonic acid
  • 4-(2,6-Dioxo-1-Propyl-2,3,6,9-Tetrahydro-1H-Purin-8-Yl)Benzenesulfonic Acid
  • 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid
  • Tocris-2009
  • compound 17
  • 4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid
  • 4-(2,3,6,7-Tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)-benzenesulfonic acid
  • 4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid
  • 1-propyl-8-p-sulfophenylxanthine
  • 152529-79-8 (acid)
  • 4-(2,6-dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)benzene-1-sulfonic acid

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
350.36 g/molcalc.
Exact mass
350.0685 Dacalc.
LogP (octanol/water)
0.74calc.
Topological polar surface area
137.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
24calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)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=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1

O=c1[nH]c(=O)c2[nH]c(-c3ccccc3)nc2[nH]1

3 rings, 17 atoms, the 8-Phenylxanthine ring system.

78 other chemicals 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.

Psb1115 suppliers

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Psb1115 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

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 Psb1115 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Psb1115 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Psb1115, based on the data on this page

What is Psb1115?

4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid is an oxopurine.

What is the CAS number of Psb1115?

The CAS registry number of Psb1115 is 152529-79-8.

What is the molecular formula and weight of Psb1115?

The molecular formula of Psb1115 is C14H14N4O5S and its molar mass is 350.36 g/mol.

What is Psb1115 used for?

Known uses and roles of Psb1115 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Psb1115 hazardous?

No GHS hazard classification for Psb1115 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 Psb1115?

Psb1115 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Psb1115?

Post a free request on CompoundList and suppliers of Psb1115 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Psb1115?

Suppliers quote Psb1115 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

Practical guides that help when you source, ship or handle Psb1115

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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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