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Screening compounds

Tegtociclib

Also known as Tagtociclib, (1R,3S)-3-(3-(3-(methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate, (1R,3S)-3-{3-[3-(Methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido]-1H-pyrazol-5-yl}cyclopentyl isopropylcarbamate

CAS 2460249-19-6Formula C19H28N6O4Molar mass 404.47 g/mol
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Tegtociclib chemical structure, C19H28N6O4, CAS 2460249-19-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2460249-19-6
Formula
C19H28N6O4
Molar mass
404.47 g/mol
HS code
293319
Category
Screening compounds

What is Tegtociclib?

Plain description, key identifiers and synonyms

Tegtociclib is an orally bioavailable inhibitor of cyclin-dependent kinase 2 (CDK2), with potential antineoplastic activity. Upon administration, tegtociclib selectively targets, binds to and inhibits the activity of CDK2. This may lead to cell cycle arrest, the induction of apoptosis, and the inhibition of tumor cell proliferation. CDKs are serine/threonine kinases that are important regulators of cell cycle progression and cellular proliferation and are frequently overexpressed in tumor cells. CDK2/cyclin E complex plays an important role in retinoblastoma (Rb) protein phosphorylation and the G1-S phase cell cycle transition. CDK2/cyclin A complex plays an important role in DNA synthesis in S phase and the activation of CDK1/cyclin B for the G2-M phase cell cycle transition.

Tegtociclib is an investigational small-molecule drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,3S)-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CAS number
2460249-19-6
Molecular formula
C19H28N6O4
UNII
XBD0JF5EHJ
InChIKey
MTNBRBDFNSGQKB-GXTWGEPZSA-N
InChI
InChI=1S/C19H28N6O4/c1-11(2)20-19(27)29-14-6-5-12(7-14)15-9-17(23-22-15)21-18(26)16-8-13(10-28-4)24-25(16)3/h8-9,11-12,14H,5-7,10H2,1-4H3,(H,20,27)(H2,21,22,23,26)/t12-,14+/m0/s1
Canonical SMILES
COCc1cc(C(=O)Nc2cc(C3CCC(OC(=O)NC(C)C)C3)[nH]n2)n(C)n1
Isomeric SMILES
CC(C)NC(=O)O[C@@H]1CC[C@@H](C1)C2=CC(=NN2)NC(=O)C3=CC(=NN3C)COC

Synonyms

  • Tagtociclib
  • (1R,3S)-3-(3-(3-(methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate
  • (1R,3S)-3-{3-[3-(Methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido]-1H-pyrazol-5-yl}cyclopentyl isopropylcarbamate
  • Carbamic acid, N-(1-methylethyl)-, (1R,3S)-3-(5-(((3-(methoxymethyl)-1-methyl-1H-pyrazol-5-yl)carbonyl)amino)-1H-pyrazol-3-yl)cyclopentyl ester
  • Carbamic acid, N-(1-methylethyl)-, (1R,3S)-3-[5-[[[3-(methoxymethyl)-1-methyl-1H-pyrazol-5-yl]carbonyl]amino]-1H-pyrazol-3-yl]cyclopentyl ester
  • PF 07104091
  • (1R,3S)-3-(5-(((3-(Methoxymethyl)-1-methyl-1H-pyrazol-5-yl)carbonyl)amino)-1H-pyrazol-3-yl)cyclopentyl N-(1-methylethyl)carbamate
  • (1R,3S)-3-(5-(3-(methoxymethyl)-1-methyl-1H-pyrazole-5carboxamido)-1H-pyrazol-3-yl)cyclopentyl (propan-2yl)carbamate
  • Tegtociclib (USAN)
  • (1R,3S)-3-(5-(3-(Methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-3-yl)cyclopentyl isopropylcarbamate
  • [(1R,3S)-3-[3-[[5-(methoxymethyl)-2-methylpyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
  • example 13
  • (1R,3S)-3-{3-[3-(methoxymethyl)-1-methyl-1H-pyrazole-5-amido]-1H-pyrazol-5-yl}cyclopentyl N-(propan-2-yl)carbamate
  • US11014911, Example 13
  • compound 19
  • Tagtociclib (pf-07104091)
  • PF07104091?
  • Carbamic acid, N-(1-methylethyl)-, (1R,3S)-3-[5-[[[3-(meth
  • (1R,3S)-3-(3-(3-(Methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-5-yl)cyclopentylisopropylcarbamate
  • (1R,3S)-3-[3-[3-(Methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido]-5-pyrazolyl]cyclopentyl Isopropylcarbamate
  • [(1R,3S)-3-[3-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

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
404.47 g/molcalc.
Exact mass
404.2172 Dacalc.
LogP (octanol/water)
2.31calc.
Topological polar surface area
123.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
29calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.58calc.
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, O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccn[nH]1

O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccn[nH]1

3 rings, 18 atoms.

1 other chemical 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.

Tegtociclib suppliers

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

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  • Axon Medchem
    United States, RestonUnclaimed profile
    TegtociclibGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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Tegtociclib price

Indicative price range per kg from live supplier offers

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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 Tegtociclib is traded under.

HS 2933.19Indicative HS code

Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.44B
−22.6% vs 2023, imports $6.66B
2019 to 2024
Top exporters
  1. China21.6%
  2. Switzerland * partner reported20.5%
  3. Germany19.0%
Top importers
  1. Slovenia38.4%
  2. Portugal14.1%
  3. Brazil13.0%

* Partner reported figures, a lower bound.

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

The HS code shown for Tegtociclib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Tegtociclib?

Tegtociclib is an orally bioavailable inhibitor of cyclin-dependent kinase 2 (CDK2), with potential antineoplastic activity. Upon administration, tegtociclib selectively targets, binds to and inhibits the activity of CDK2.

What is the CAS number of Tegtociclib?

The CAS registry number of Tegtociclib is 2460249-19-6.

What is the molecular formula and weight of Tegtociclib?

The molecular formula of Tegtociclib is C19H28N6O4 and its molar mass is 404.47 g/mol.

What is Tegtociclib used for?

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

Is Tegtociclib hazardous?

No GHS hazard classification for Tegtociclib 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 Tegtociclib?

Tegtociclib is usually classified under HS code 293319 (Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tegtociclib?

CompoundList lists 1 supplier of Tegtociclib in 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 Tegtociclib?

Suppliers quote Tegtociclib 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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