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Screening compounds

Ipi-269609

Also known as IPI 609, Smoothened Antagonist IPI-609, IPI 269609

CAS 878204-96-7Formula C28H41NO2Molar mass 423.64 g/mol
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Ipi-269609 chemical structure, C28H41NO2, CAS 878204-96-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
878204-96-7
Formula
C28H41NO2
Molar mass
423.64 g/mol
HS code
293499
Category
Screening compounds

What is Ipi-269609?

Plain description, key identifiers and synonyms

Smoothened Antagonist IPI-609 is a semi-synthetic cyclopamine analogue and an inhibitor of SMO and the Hedgehog (Hh) pathway, with potential antineoplastic activity. Upon administration, smoothened antagonist IPI-609 targets, binds to and inhibits the cell membrane-spanning G-protein coupled receptor SMO, which may result in the suppression of Hh pathway signaling and a decrease in tumor cell proliferation and survival. SMO is activated upon binding of Hh ligand to the cell surface receptor Patched (PTCH), inappropriate activation of Hh signaling and uncontrolled cellular proliferation may be associated with SMO mutations.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3'R,3'aS,6'S,6aS,6bS,7'aR,9S,12aS,12bR)-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-one
CAS number
878204-96-7
Molecular formula
C28H41NO2
UNII
0E0K1H745W
InChIKey
MQLNLMKPNAHPDZ-LLMUXGIESA-N
InChI
InChI=1S/C28H41NO2/c1-16-11-25-26(29-15-16)18(3)28(31-25)10-8-21-22-6-5-19-12-20(30)7-9-27(19,4)24(22)13-23(21)17(2)14-28/h12,16,18,21-22,24-26,29H,5-11,13-15H2,1-4H3/t16-,18+,21-,22-,24-,25+,26-,27-,28-/m0/s1
Canonical SMILES
CC1=C2CC3C(CCC4=CC(=O)CCC43C)C2CCC2(C1)OC1CC(C)CNC1C2C
Isomeric SMILES
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@]6([C@H]5CC4=C(C3)C)C)C)NC1

Synonyms

  • IPI 609
  • Smoothened Antagonist IPI-609
  • IPI 269609

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
423.64 g/molcalc.
Exact mass
423.3137 Dacalc.
LogP (octanol/water)
5.6calc.
Topological polar surface area
38.33 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
31calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.82calc.
Formal charge
0calc.
Stereocentres
9calc.
Lipinski rule of five
Passes (1 violation)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=C1C=C2CCC3C4CCC5(CC=C4CC3C2CC1)CC1NCCCC1O5

O=C1C=C2CCC3C4CCC5(CC=C4CC3C2CC1)CC1NCCCC1O5

6 rings, 27 atoms.

No other chemical in our database has 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.

Ipi-269609 suppliers

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

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Ipi-269609 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

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 Ipi-269609 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Ipi-269609 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ipi-269609, based on the data on this page

What is Ipi-269609?

Smoothened Antagonist IPI-609 is a semi-synthetic cyclopamine analogue and an inhibitor of SMO and the Hedgehog (Hh) pathway, with potential antineoplastic activity.

What is the CAS number of Ipi-269609?

The CAS registry number of Ipi-269609 is 878204-96-7.

What is the molecular formula and weight of Ipi-269609?

The molecular formula of Ipi-269609 is C28H41NO2 and its molar mass is 423.64 g/mol.

What is Ipi-269609 used for?

Known uses and roles of Ipi-269609 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ipi-269609 hazardous?

No GHS hazard classification for Ipi-269609 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 Ipi-269609?

Ipi-269609 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ipi-269609?

Post a free request on CompoundList and suppliers of Ipi-269609 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ipi-269609?

Suppliers quote Ipi-269609 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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