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Alkaloids

Phevalin

Also known as Aureusimine B, 6-Benzyl-3-isopropyl-2(1H)-pyrazinone, 6-benzyl-3-propan-2-yl-1H-pyrazin-2-one

CAS 170713-71-0Formula C14H16N2OMolar mass 228.30 g/mol
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Phevalin chemical structure, C14H16N2O, CAS 170713-71-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
170713-71-0
Formula
C14H16N2O
Molar mass
228.30 g/mol
HS code
293980
Category
Alkaloids

What is Phevalin?

Plain description, key identifiers and synonyms

Phevalin is a member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 M), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression. It has a role as a bacterial metabolite and a calpain inhibitor. It is a pyrazinone and a member of benzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-benzyl-3-propan-2-yl-1H-pyrazin-2-one
CAS number
170713-71-0
Molecular formula
C14H16N2O
MDL number
MFCD00930483
InChIKey
CZUORGWXUVRUMV-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2O/c1-10(2)13-14(17)16-12(9-15-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)
SMILES (canonical and isomeric)
CC(C)C1=NC=C(NC1=O)CC2=CC=CC=C2

Synonyms

  • Aureusimine B
  • 6-Benzyl-3-isopropyl-2(1H)-pyrazinone
  • 6-benzyl-3-propan-2-yl-1H-pyrazin-2-one
  • 6-Benzyl-3-isopropylpyrazin-2-one
  • 3-(1-Methylethyl)-6-(phenylmethyl)-2(1H)-pyrazinone
  • 6-Benzyl-3-isopropylpyrazin-2(1H)-one
  • 6-benzyl-3-(propan-2-yl)-1,2-dihydropyrazin-2-one
  • 6-Benzyl-3-isopropyl-1H-pyrazin-2-one
  • 3-(1-Methylethyl)-6-(phenylmethyl)-2(1H)-pyrazinone, Phevalin,
  • 6-benzyl-3-(propan-2-yl)pyrazin-2(1H)-one

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
228.30 g/molcalc.
Exact mass
228.1263 Dacalc.
LogP (octanol/water)
2.48calc.
Topological polar surface area
45.75 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.29calc.
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=c1cncc(Cc2ccccc2)[nH]1

O=c1cncc(Cc2ccccc2)[nH]1

2 rings, 14 atoms.

4 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.

Phevalin suppliers

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Where suppliers are based

1 supplier in 1 country

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Phevalin price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Roles

  • bacterial metabolite
  • calpain inhibitor
  • cysteine protease inhibitor
  • enzyme inhibitor
  • metabolite
  • prokaryotic metabolite
  • protease inhibitor

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 Phevalin is traded under.

HS 2939.80Indicative HS code

Natural or reproduced by synthesis, and their salts, esters and other derivatives not elsewhere classified…

World exports in 2024
$49.3M
+13.2% vs 2023, imports $61.4M
2019 to 2024
Top exporters
  1. China31.7%
  2. India * partner reported23.1%
  3. South Africa7.8%
Top importers
  1. Austria28.6%
  2. United States11.9%
  3. United Kingdom7.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Phevalin is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Phevalin?

Phevalin is a member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 M), contributes to S.

What is the CAS number of Phevalin?

The CAS registry number of Phevalin is 170713-71-0.

What is the molecular formula and weight of Phevalin?

The molecular formula of Phevalin is C14H16N2O and its molar mass is 228.30 g/mol.

What is Phevalin used for?

Known uses and roles of Phevalin include bacterial metabolite, calpain inhibitor, cysteine protease inhibitor, enzyme inhibitor, metabolite and 2 more.

Is Phevalin hazardous?

No GHS hazard classification for Phevalin 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 Phevalin?

Phevalin is usually classified under HS code 293980 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phevalin?

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

What is the price of Phevalin?

Suppliers quote Phevalin 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 Phevalin

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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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