CompoundList
Sign in
Screening compounds

Plevitrexed

Also known as ZD 9331, BGC 9331, Bgc-9331

CAS 153537-73-6Formula C26H25FN8O4Molar mass 532.54 g/mol
Get quotes Safety data
Plevitrexed chemical structure, C26H25FN8O4, CAS 153537-73-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
153537-73-6
Formula
C26H25FN8O4
Molar mass
532.54 g/mol
HS code
293359
Category
Screening compounds

What is Plevitrexed?

Plain description, key identifiers and synonyms

Plevitrexed is an orally bioavailable, small molecule, non-polyglutamatable, antifolate quinazoline derivative thymidine synthetase inhibitor with potential antineoplastic activity. Plevitrexed is transported into the cell via the physiological reduced folate carrier (RFC) system. Intracellularly, this agent selectively binds to the folate binding site of thymidylate synthase and inhibits thymidine synthesis, which may result in DNA synthesis inhibition and apoptosis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
CAS number
153537-73-6 CAS number cross-checkedOther or deprecated CAS: 172521-94-7
Molecular formula
C26H25FN8O4
UNII
L9P2881C3H
InChIKey
IEJSCSAMMLUINT-NRFANRHFSA-N
InChI
InChI=1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1
Canonical SMILES
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NC(CCc2nn[nH]n2)C(=O)O)c(F)c1
Isomeric SMILES
CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)N[C@@H](CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C

Synonyms

  • ZD 9331
  • BGC 9331
  • Bgc-9331
  • (2S)-2-((4-(((2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)-2-fluorobenzoyl)amino)-4-(1H-tetrazol-5-yl)butanoic acid
  • (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
  • 1H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (alphaS)-
  • Vamidex
  • plevitrexedum
  • Vamydex
  • (2S)-2-((4-((2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino)-2-fluorobenzoyl)amino)-4-(2H-tetrazol-5-yl)butanoic acid
  • (2S)-2-((4-(((2,7-dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-yn-1-yl)amino)-2-fluorophenyl)formamido)-4-(1H-1,2,3,4-tetrazol-5-yl)butanoic acid
  • (alphaS)-alpha-((4-(((1,4-Dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-1H-tetrazole-5-butanoic Acid
  • (S)-2-(4-(((2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl)(prop-2-yn-1-yl)amino)-2-fluorobenzamido)-4-(1H-tetrazol-5-yl)butanoic acid
  • Plevitrexed (INN)
  • (2S)-2-[[4-[(2,7-dimethyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid
  • Plevitrexed(NSC 696259)
  • (2S)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-2-fluoro-benzoyl]amino]
  • 1H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (S)-
  • (2S)-2-({4-[[(2,7-Dimethyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino]-2-fluorobenzoyl}amino)-4-(1H-tetrazol-5-yl)butanoic acid
  • (2S)-2-(4-{[(2,7-Dimethyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}-2-fluorobenzamido)-4-(2H-tetrazol-5-yl)butanoic acid
  • (S)-2-{4-[(2,7-Dimethyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-2-fluoro-benzoylamino}-4-(1H-tetrazol-5-yl)-butyric acid
  • 1H-Tetrazole-5-butanoic acid, alpha-((4-(((1,4-dihydro-2,7-dimethyl-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)-2-fluorobenzoyl)amino)-, (.alpha.s)-
  • 1H-Tetrazole-5-butanoic acid,4-dihydro-2,7- dimethyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-fluorobenzoyl]amino]-, (S)-

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
532.54 g/molcalc.
Exact mass
532.1983 Dacalc.
LogP (octanol/water)
1.65calc.
Topological polar surface area
169.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
10calc.
Heavy atoms
39calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C(NCCCc1nn[nH]n1)c1ccc(NCc2ccc3nc[nH]c(=O)c3c2)cc1

O=C(NCCCc1nn[nH]n1)c1ccc(NCc2ccc3nc[nH]c(=O)c3c2)cc1

4 rings, 30 atoms.

2 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.

Plevitrexed suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Plevitrexed can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Plevitrexed price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents

Roles

  • antineoplastic agent
  • pharmaceutical

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 Plevitrexed 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 Plevitrexed is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Plevitrexed?

Plevitrexed is an orally bioavailable, small molecule, non-polyglutamatable, antifolate quinazoline derivative thymidine synthetase inhibitor with potential antineoplastic activity. Plevitrexed is transported into the cell via the physiological reduced folate carrier (RFC) system.

What is the CAS number of Plevitrexed?

The CAS registry number of Plevitrexed is 153537-73-6. Other or deprecated CAS numbers: 172521-94-7.

What is the molecular formula and weight of Plevitrexed?

The molecular formula of Plevitrexed is C26H25FN8O4 and its molar mass is 532.54 g/mol.

What is Plevitrexed used for?

Known uses and roles of Plevitrexed include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent, pharmaceutical and antineoplastic agents.

Is Plevitrexed hazardous?

No GHS hazard classification for Plevitrexed 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 Plevitrexed?

Plevitrexed 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 Plevitrexed?

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

What is the price of Plevitrexed?

Suppliers quote Plevitrexed 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 Plevitrexed

Get quotes for Plevitrexed

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Plevitrexed
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Plevitrexed with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/plevitrexed-153537-73-6" title="Plevitrexed structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Screening compounds or HS code 293359

Price on request
Free quotes, contact stays private
Get quotes