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Screening compounds

Lorpucitinib

Also known as 1-(trans-4-(Cyanomethyl)cyclohexyl)-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)imidazo(4,5-d)pyrrolo(2,3-b)pyridine-2-acetamide, 1-[trans-4-(Cyanomethyl)cyclohexyl]-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)imidazo[4,5-d]pyrrolo[2,3-b]pyridine-2-acetamide, Imidazo(4,5-d)pyrrolo(2,3-b)pyridine-2-acetamide, 1-(trans-4-(cyanomethyl)cyclohexyl)-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)-

CAS 2230282-02-5Formula C22H28N6O2Molar mass 408.51 g/mol
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Lorpucitinib chemical structure, C22H28N6O2, CAS 2230282-02-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2230282-02-5
Formula
C22H28N6O2
Molar mass
408.51 g/mol
HS code
293399
Category
Screening compounds

What is Lorpucitinib?

Plain description, key identifiers and synonyms

Lorpucitinib is an orally bioavailable pan-inhibitor of the Janus associated-kinases (JAKs), with potential immunomodulatory and anti-inflammatory activities. Upon oral administration, lorpucitinib works in the gastrointestinal (GI) tract where it targets, binds to and inhibits the activity of the JAKs, thereby disrupting JAK-signal transducer and activator of transcription (STAT) signaling pathways and the phosphorylation of STAT proteins. This may inhibit the release of pro-inflammatory cytokines and chemokines, reducing inflammatory responses and preventing inflammation-induced damage. The Janus kinase family of non-receptor tyrosine kinases, which includes tyrosine-protein kinase JAK1 (Janus kinase 1, JAK1), tyrosine-protein kinase JAK2 (Janus kinase 2, JAK2), tyrosine-protein kinase JAK3 (Janus kinase 3, JAK3) and non-receptor tyrosine-protein kinase TYK2 (tyrosine kinase 2), plays a key role in cytokine signaling and inflammaton.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CAS number
2230282-02-5
Molecular formula
C22H28N6O2
UNII
OE1QTY7C25
InChIKey
NJKMSBSVJSQUBU-UHFFFAOYSA-N
InChI
InChI=1S/C22H28N6O2/c1-22(2,30)13-26-19(29)11-18-27-17-12-25-21-16(8-10-24-21)20(17)28(18)15-5-3-14(4-6-15)7-9-23/h8,10,12,14-15,30H,3-7,11,13H2,1-2H3,(H,24,25)(H,26,29)
SMILES (canonical and isomeric)
CC(C)(CNC(=O)CC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3)O

Synonyms

  • 1-(trans-4-(Cyanomethyl)cyclohexyl)-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)imidazo(4,5-d)pyrrolo(2,3-b)pyridine-2-acetamide
  • 1-[trans-4-(Cyanomethyl)cyclohexyl]-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)imidazo[4,5-d]pyrrolo[2,3-b]pyridine-2-acetamide
  • Imidazo(4,5-d)pyrrolo(2,3-b)pyridine-2-acetamide, 1-(trans-4-(cyanomethyl)cyclohexyl)-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)-
  • 2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide
  • 2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
  • Imidazo[4,5-d]pyrrolo[2,3-b]pyridine-2-acetamide, 1-[trans-4-(cyanomethyl)cyclohexyl]-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)-
  • Lorpucitinib, >98% (HPLC)
  • US10294226, Compound Ex. 1
  • compound 2
  • example 1
  • US11066406, Ex. 1
  • 2-{1-[trans-4-(cyanomethyl)cyclohexyl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}-N-(2-hydroxy-2-methylpropyl)acetamide

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
408.51 g/molcalc.
Exact mass
408.2274 Dacalc.
LogP (octanol/water)
2.99calc.
Topological polar surface area
119.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.55calc.
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, c1cc2c(ncc3ncn(C4CCCCC4)c32)[nH]1

c1cc2c(ncc3ncn(C4CCCCC4)c32)[nH]1

4 rings, 18 atoms, the 1-Cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine ring system.

7 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.

Lorpucitinib suppliers

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Lorpucitinib price

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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 Lorpucitinib is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Lorpucitinib?

Lorpucitinib is an orally bioavailable pan-inhibitor of the Janus associated-kinases (JAKs), with potential immunomodulatory and anti-inflammatory activities.

What is the CAS number of Lorpucitinib?

The CAS registry number of Lorpucitinib is 2230282-02-5.

What is the molecular formula and weight of Lorpucitinib?

The molecular formula of Lorpucitinib is C22H28N6O2 and its molar mass is 408.51 g/mol.

What is Lorpucitinib used for?

Known uses and roles of Lorpucitinib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Lorpucitinib hazardous?

No GHS hazard classification for Lorpucitinib 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 Lorpucitinib?

Lorpucitinib is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Lorpucitinib?

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What is the price of Lorpucitinib?

Suppliers quote Lorpucitinib 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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