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Screening compounds

Lexibulin

Also known as CYT 997, lexibulina, lexibuline

CAS 917111-44-5Formula C24H30N6O2Molar mass 434.54 g/mol
1 supplier listed
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Lexibulin chemical structure, C24H30N6O2, CAS 917111-44-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
917111-44-5
Formula
C24H30N6O2
Molar mass
434.54 g/mol
HS code
293359
Category
Screening compounds

What is Lexibulin?

Plain description, key identifiers and synonyms

1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea is a member of ureas.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
CAS number
917111-44-5 CAS number cross-checked
Molecular formula
C24H30N6O2
UNII
2GTU230HA1
MDL number
MFCD18206787
InChIKey
MTJHLONVHHPNSI-IBGZPJMESA-N
InChI
InChI=1S/C24H30N6O2/c1-5-8-19(18-9-7-12-25-15-18)28-22-16(3)14-27-23(30-22)17-10-11-20(21(13-17)32-4)29-24(31)26-6-2/h7,9-15,19H,5-6,8H2,1-4H3,(H2,26,29,31)(H,27,28,30)/t19-/m0/s1
Canonical SMILES
CCCC(Nc1nc(-c2ccc(NC(=O)NCC)c(OC)c2)ncc1C)c1cccnc1
Isomeric SMILES
CCC[C@@H](C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC

Synonyms

  • CYT 997
  • lexibulina
  • lexibuline
  • 1-Ethyl-3-(2-methoxy-4-(5-methyl-4-(((1S)-1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea
  • Urea, N-ethyl-n'-(2-methoxy-4-(5-methyl-4-(((1S)-1-(3-pyridinyl)butyl)amino)-2-pyrimidinyl)phenyl)-
  • Urea, N-ethyl-N'-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]-
  • 1-Ethyl-3-[2-Methoxy-4-(5-Methyl-4-{[(1s)-1-(Pyridin-3-Yl)butyl]amino}pyrimidin-2-Yl)phenyl]urea
  • lexibulinum
  • Tubulin Inhibitor CYT997
  • CYT997 (Lexibulin)
  • lexibulin (CYT997)
  • (S)-1-Ethyl-3-(2-methoxy-4-(5-methyl-4-((1-(pyridin-3-yl)butyl)amino)pyrimidin-2-yl)phenyl)urea
  • Lexibulin (USAN)
  • Lexibulin hydrochloride
  • 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridyl)butyl]amino]pyrimidin-2-yl]phenyl]urea
  • 1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl]phenyl]urea
  • N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)-1-pyridin-3-ylbutyl]amino]pyrimidin-2-yl)phenyl]urea
  • N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)-1-pyridin-3-ylbutyl]amino}pyrimidin-2-yl)phenyl]urea
  • N-ethyl-N'-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea
  • CYT997(Lexibulin)
  • Lexibulin, CYT-997
  • Cyr997
  • 3-ethyl-1-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
  • LXL
  • N-Ethyl-N'-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea
Show all 26 synonyms
  • N-Ethyl-N-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea

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
434.54 g/molcalc.
Exact mass
434.243 Dacalc.
LogP (octanol/water)
4.95calc.
Topological polar surface area
101.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
9calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(-c2nccc(NCc3cccnc3)n2)cc1

c1ccc(-c2nccc(NCc3cccnc3)n2)cc1

3 rings, 20 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.

Lexibulin suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

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Lexibulin 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

  • antineoplastic agent
  • pharmaceutical

Pharmacology

Lexibulin is an orally bioavailable small-molecule with tubulin-inhibiting, vascular-disrupting, and potential antineoplastic activities. Lexibulin inhibits tubulin polymerization in tumor blood vessel endothelial cells and tumor cells, blocking the formation of the mitotic spindle and leading to cell cycle arrest at the G2/M phase, this may result in disruption of the tumor vasculature and tumor blood flow, and tumor cell death.

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

Frequently asked questions

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

What is Lexibulin?

1-ethyl-3-[2-methoxy-4-[5-methyl-4-[[(1S)-1-(3-pyridinyl)butyl]amino]-2-pyrimidinyl]phenyl]urea is a member of ureas.

What is the CAS number of Lexibulin?

The CAS registry number of Lexibulin is 917111-44-5.

What is the molecular formula and weight of Lexibulin?

The molecular formula of Lexibulin is C24H30N6O2 and its molar mass is 434.54 g/mol.

What is Lexibulin used for?

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

Is Lexibulin hazardous?

No GHS hazard classification for Lexibulin 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 Lexibulin?

Lexibulin 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 Lexibulin?

CompoundList lists 1 supplier of Lexibulin 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 Lexibulin?

Suppliers quote Lexibulin 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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