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Screening compounds

Ipatasertib

Also known as GDC 0068, (2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl(-3-((propan-2-yl)amino)propan-1-one, 1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, (2S)-

CAS 1001264-89-6Formula C24H32ClN5O2Molar mass 458.01 g/mol
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Ipatasertib chemical structure, C24H32ClN5O2, CAS 1001264-89-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1001264-89-6
Formula
C24H32ClN5O2
Molar mass
458.01 g/mol
HS code
293359
Category
Screening compounds

What is Ipatasertib?

Plain description, key identifiers and synonyms

(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-(propan-2-ylamino)-1-propanone is a N-arylpiperazine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CAS number
1001264-89-6 CAS number cross-checkedOther or deprecated CAS: 1396257-94-5
Molecular formula
C24H32ClN5O2
UNII
524Y3IB4HQ
MDL number
MFCD22124514
InChIKey
GRZXWCHAXNAUHY-NSISKUIASA-N
InChI
InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1
Canonical SMILES
CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1
Isomeric SMILES
C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O

Synonyms

  • GDC 0068
  • (2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl(-3-((propan-2-yl)amino)propan-1-one
  • 1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, (2S)-
  • 1-Propanone, 2-(4-chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-, (2S)-
  • 2-(4-chlorophenyl)-1-(4-(7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one
  • ipatasertibum
  • (2S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(e)pyrimidin-4-yl)piperazin-1-yl)-3-(propan-2-ylamino)propan-1-one
  • (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[e]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
  • (2S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-5H,6H,7H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-((propan-2-yl)amino)propan-1-one
  • Ipatasertib (GDC-0068)
  • (S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one
  • (2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl]-1-piperazinyl]-3-[(1-methylethyl)amino]-1-propanone
  • Ipatasertib, GDC-0068
  • (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
  • (2s)-2-(4-Chlorophenyl)-1-{4-[(5r,7r)-7-Hydroxy-5-Methyl-6,7-Dihydro-5h-Cyclopenta[d]pyrimidin-4-Yl]piperazin-1-Yl}-3-(Propan-2-Ylamino)propan-1-One
  • GDC-0068, Ipatasertib, RG 7440,
  • C24H32ClN5O2
  • RG 7440
  • GDC0068 di-HCl
  • Ipatasertib (USAN/INN)
  • GDC-0068 di-HCl
  • RG-7440 di-HCl
  • Sdccgsbi-0654476.p001
  • (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(isopropylamino)propan-1-one
  • (2S)-2-(4-Chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-yla,ino)propan-1-one

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
458.01 g/molcalc.
Exact mass
457.2245 Dacalc.
LogP (octanol/water)
3.1calc.
Topological polar surface area
81.59 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
32calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.54calc.
Formal charge
0calc.
Stereocentres
3calc.
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(Cc1ccccc1)N1CCN(c2ncnc3c2CCC3)CC1

O=C(Cc1ccccc1)N1CCN(c2ncnc3c2CCC3)CC1

4 rings, 24 atoms.

8 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.

Ipatasertib suppliers

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Where suppliers are based

5 suppliers in 2 countries

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Ipatasertib 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

Pharmacological actions

  • Antineoplastic Agents
  • Protein Kinase Inhibitors

Roles

  • antineoplastic agent
  • pharmaceutical

Pharmacology

Ipatasertib is an orally bioavailable inhibitor of the serine/threonine protein kinase Akt (protein kinase B) with potential antineoplastic activity. Ipatasertib binds to and inhibits the activity of Akt in a non-ATP-competitive manner, which may result in the inhibition of the PI3K/Akt signaling pathway and tumor cell proliferation and the induction of tumor cell apoptosis. Activation of the PI3K/Akt signaling pathway is frequently associated with tumorigenesis and dysregulated PI3K/Akt signaling may contribute to tumor resistance to a variety of antineoplastic agents.

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

Frequently asked questions

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

What is Ipatasertib?

(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1-piperazinyl]-3-(propan-2-ylamino)-1-propanone is a N-arylpiperazine.

What is the CAS number of Ipatasertib?

The CAS registry number of Ipatasertib is 1001264-89-6. Other or deprecated CAS numbers: 1396257-94-5.

What is the molecular formula and weight of Ipatasertib?

The molecular formula of Ipatasertib is C24H32ClN5O2 and its molar mass is 458.01 g/mol.

What is Ipatasertib used for?

Known uses and roles of Ipatasertib include building blocks in research and laboratory, screening compounds in research and laboratory, biochemical and pharmacological tools in research and laboratory, antineoplastic agent, pharmaceutical and 2 more.

Is Ipatasertib hazardous?

No GHS hazard classification for Ipatasertib 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 Ipatasertib?

Ipatasertib 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 Ipatasertib?

CompoundList lists 5 suppliers of Ipatasertib in China 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 Ipatasertib?

Suppliers quote Ipatasertib 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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