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Heterocyclic building blocks

Istisociclib

Also known as (1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine, (1S,3S)-3-N-(5-pentan-3-ylpyrazolo(1,5-a)pyrimidin-7-yl)cyclopentane-1,3-diamine, (1S,3S)-N1-(5-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

CAS 2416873-83-9Formula C16H25N5Molar mass 287.41 g/mol
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Istisociclib chemical structure, C16H25N5, CAS 2416873-83-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2416873-83-9
Formula
C16H25N5
Molar mass
287.41 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Istisociclib?

Plain description, key identifiers and synonyms

Istisociclib is an orally bioavailable, selective inhibitor of the serine/threonine cyclin-dependent kinase 9 (CDK9), the catalytic subunit of the RNA polymerase II (RNA Pol II) elongation factor positive transcription elongation factor b (PTEF-b, PTEFb), with potential antineoplastic activity. Upon oral administration, istisociclib targets, binds to and blocks the phosphorylation and kinase activity of CDK9, thereby preventing PTEFb-mediated activation of RNA Pol II, leading to the inhibition of gene transcription of various anti-apoptotic proteins and oncogenic transcription factors including MYC and androgen receptor (AR). This induces cell cycle arrest and apoptosis and prevents tumor cell proliferation. CDK9 regulates elongation of transcription through phosphorylation of RNA Pol II at serine 2 (p-Ser2-RNAPII), and is an important cofactor for various oncogenic transcription factors.

Read more

It is upregulated in various tumor cell types and plays a key role in the regulation of Pol II-mediated transcription of anti-apoptotic proteins. Tumor cells are dependent on anti-apoptotic proteins for their survival.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CAS number
2416873-83-9Other or deprecated CAS: 2416874-75-2
Molecular formula
C16H25N5
UNII
F7J6KSY5I8
InChIKey
VYKCLMALANGCDF-STQMWFEESA-N
InChI
InChI=1S/C16H25N5/c1-3-11(4-2)14-10-16(19-13-6-5-12(17)9-13)21-15(20-14)7-8-18-21/h7-8,10-13,19H,3-6,9,17H2,1-2H3/t12-,13-/m0/s1
Canonical SMILES
CCC(CC)c1cc(NC2CCC(N)C2)n2nccc2n1
Isomeric SMILES
CCC(CC)C1=NC2=CC=NN2C(=C1)N[C@H]3CC[C@@H](C3)N

Synonyms

  • (1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
  • (1S,3S)-3-N-(5-pentan-3-ylpyrazolo(1,5-a)pyrimidin-7-yl)cyclopentane-1,3-diamine
  • (1S,3S)-N1-(5-(pentan-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
  • Istisociclib (USAN)
  • KB0742 2HCl
  • KB-0742 HCl?
  • KB 0742
  • compound 28
  • (1S,3S)-3-Amino-1-[5-(1-ethylpropyl)-1,4,7a-triazainden-7-ylamino]cyclopentane
  • (1S,3S)-N1-[5-(1-Ethylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-cyclopentanediamine
  • 1,3-Cyclopentanediamine, N1-[5-(1-ethylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]-, (1S,3S)-
  • trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

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
287.41 g/molcalc.
Exact mass
287.211 Dacalc.
LogP (octanol/water)
2.92calc.
Topological polar surface area
68.24 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1cc(NC2CCCC2)n2nccc2n1

c1cc(NC2CCCC2)n2nccc2n1

3 rings, 15 atoms.

6 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.

Istisociclib suppliers

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

All 2 suppliers
  • Flamma S.p.A.
    Italy, Chignolo d'Isola ManufacturerUnclaimed profile
    IstisociclibGrade, purity and minimum order on request
    Price on request
    View
  • Axon Medchem
    United States, RestonUnclaimed profile
    IstisociclibGrade, 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 2 countries

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Istisociclib 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

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

Frequently asked questions

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

What is Istisociclib?

Istisociclib is an orally bioavailable, selective inhibitor of the serine/threonine cyclin-dependent kinase 9 (CDK9), the catalytic subunit of the RNA polymerase II (RNA Pol II) elongation factor positive transcription elongation factor b (PTEF-b, PTEFb), with potential antineoplastic activity.

What is the CAS number of Istisociclib?

The CAS registry number of Istisociclib is 2416873-83-9. Other or deprecated CAS numbers: 2416874-75-2.

What is the molecular formula and weight of Istisociclib?

The molecular formula of Istisociclib is C16H25N5 and its molar mass is 287.41 g/mol.

What is Istisociclib used for?

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

Is Istisociclib hazardous?

No GHS hazard classification for Istisociclib 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 Istisociclib?

Istisociclib 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 Istisociclib?

CompoundList lists 2 suppliers of Istisociclib in Italy and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Istisociclib?

Suppliers quote Istisociclib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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