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Screening compounds

Unesbulin

Also known as BMI1 inhibitor PTC596, PTC 596, 5-fluoro-2-(6-fluoro-2-methyl-1H-benzimidazol-1-yl)-N4-[4-(trifluoromethyl)phenyl]-4,6-pyrimidinediamine

CAS 1610964-64-1Formula C19H13F5N6Molar mass 420.35 g/mol
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Unesbulin chemical structure, C19H13F5N6, CAS 1610964-64-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1610964-64-1
Formula
C19H13F5N6
Molar mass
420.35 g/mol
HS code
293359
Category
Screening compounds

What is Unesbulin?

Plain description, key identifiers and synonyms

Unesbulin is an orally active inhibitor of the polycomb ring finger oncogene BMI1 (B-cell-specific Moloney murine leukemia virus integration site 1), with potential antineoplastic activity. Upon oral administration, unesbulin targets BMI1 expressed by both tumor cells and cancer stem cells (CSCs), and induces hyper-phosphorylation of BMI1 leading to its degradation. This inhibits BMI1-mediated signal transduction pathways and results in a reduction of proliferation of BMI1-expressing tumor cells. BMI1, a key protein in the polycomb repressive complex 1 (PRC1), is overexpressed in certain tumor cell types, and plays a key role in CSC survival, proliferation and resistance to chemotherapeutics, its expression is associated with increased tumor aggressiveness and a poor prognosis.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CAS number
1610964-64-1
Molecular formula
C19H13F5N6
UNII
Z4HZ70S62Q
InChIKey
TWLWOOPCEXYVBE-UHFFFAOYSA-N
InChI
InChI=1S/C19H13F5N6/c1-9-26-13-7-4-11(20)8-14(13)30(9)18-28-16(25)15(21)17(29-18)27-12-5-2-10(3-6-12)19(22,23)24/h2-8H,1H3,(H3,25,27,28,29)
SMILES (canonical and isomeric)
CC1=NC2=C(N1C3=NC(=C(C(=N3)NC4=CC=C(C=C4)C(F)(F)F)F)N)C=C(C=C2)F

Synonyms

  • BMI1 inhibitor PTC596
  • PTC 596
  • 5-fluoro-2-(6-fluoro-2-methyl-1H-benzimidazol-1-yl)-N4-[4-(trifluoromethyl)phenyl]-4,6-pyrimidinediamine
  • 5-Fluoro-2-(6-fluoro-2-methyl-1H-benzo(d)imidazole-1-yl)-N4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine
  • 4,6-Pyrimidinediamine, 5-fluoro-2-(6-fluoro-2-methyl-1H-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)-
  • 5-Fluoro-2-(6-fluoro-2-methyl-1H-benzimidazol-1-yl)-n4-(4-(trifluoromethyl)phenyl)-4,6-pyrimidinediamine
  • 5-Fluoro-2-(6-fluoro-2-methyl-1H-benzo[d]imidazol-1-yl)-N4-(4-(trifluoromethyl)phenyl)pyrimidine-4,6-diamine
  • Unesbulin (PTC596)
  • 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
  • 5-Fluoro-2-(6-fluoro-2-methyl-1H-benzoimidazol-1-yl)-N-(4-trifluoromethylphenyl)-pyrimidine-4,6-diamine
  • 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
  • Unesblin (USAN)
  • PTC596?
  • WHO 11570
  • 5-Fluoro-2-(6-fluoro-2-methyl-1h-benzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
  • 5-fluoro-2-(6-fluoro-2-methyl-benzimidazol-1-yl)-N4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
  • SOZ

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
420.35 g/molcalc.
Exact mass
420.1122 Dacalc.
LogP (octanol/water)
4.75calc.
Topological polar surface area
81.65 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.11calc.
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, c1ccc(Nc2ccnc(-n3cnc4ccccc43)n2)cc1

c1ccc(Nc2ccnc(-n3cnc4ccccc43)n2)cc1

4 rings, 22 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.

Unesbulin suppliers

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

All 2 suppliers
  • Ureiko
    ChinaUnclaimed profile
    UnesbulinGrade, purity and minimum order on request
    Price on request
    View
  • Biosynce Pharmatech
    China, ChengduUnclaimed profile
    UnesbulinGrade, purity and minimum order on request
    Price on request
    View

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

2 suppliers in 1 country

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Unesbulin 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.

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Uses and applications

What the substance is used for, by industry and function

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

Frequently asked questions

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

What is Unesbulin?

Unesbulin is an orally active inhibitor of the polycomb ring finger oncogene BMI1 (B-cell-specific Moloney murine leukemia virus integration site 1), with potential antineoplastic activity.

What is the CAS number of Unesbulin?

The CAS registry number of Unesbulin is 1610964-64-1.

What is the molecular formula and weight of Unesbulin?

The molecular formula of Unesbulin is C19H13F5N6 and its molar mass is 420.35 g/mol.

What is Unesbulin used for?

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

Is Unesbulin hazardous?

No GHS hazard classification for Unesbulin 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 Unesbulin?

Unesbulin 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 Unesbulin?

CompoundList lists 2 suppliers of Unesbulin 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 Unesbulin?

Suppliers quote Unesbulin 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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