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Screening compounds

Peficitinib

Also known as Peficitinib free base, 944118-01-8 (free base), 4-(((1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

CAS 944118-01-8Formula C18H22N4O2Molar mass 326.40 g/mol
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Peficitinib chemical structure, C18H22N4O2, CAS 944118-01-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
944118-01-8
Formula
C18H22N4O2
Molar mass
326.40 g/mol
HS code
293399
Category
Screening compounds

What is Peficitinib?

Plain description, key identifiers and synonyms

Peficitinib is a chemical substance with the molecular formula C18H22N4O2 and a molar mass of 326.40 g/mol. Its CAS registry number is 944118-01-8. The IUPAC name is 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CAS number
944118-01-8Other or deprecated CAS: 944134-74-1
Molecular formula
C18H22N4O2
UNII
HPH1166CKX
MDL number
MFCD28502035
InChIKey
DREIJXJRTLTGJC-JQCLMNFQSA-N
InChI
InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9?,10-,11+,14?,18?
Canonical SMILES
NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
Isomeric SMILES
C1[C@@H]2CC3(C[C@@H](C2NC4=C5C=CNC5=NC=C4C(=O)N)CC1C3)O

Synonyms

  • Peficitinib free base
  • 944118-01-8 (free base)
  • 4-(((1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
  • 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
  • PeficitinibASP015K,JNJ-54781532
  • 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
  • anti-4-((5-Hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
  • Peficitinib (ASP015K)
  • ASP 015K
  • 4-(((1R,2s,3S)-5-hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
  • 4-{[(1R,2s,3S)-5-Hydroxyadamantan-2-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
  • Peficitinib (Standard)
  • Peficitinib (USAN/INN)
  • 4-[[(1R,3S)-5-hydrox
  • 1H-Pyrrolo(2,3-b)pyridine-5-carboxamide, 4-((5-hydroxytricyclo(3.3.1.13,7)dec-2-yl)amino)-, stereoisomer
  • Peficitinib hydrobromide
  • PeficitinibASP015K,JNJ-54781532?
  • ASP015K, JNJ-54781532
  • 4-(((1R,2s,3S,5r)-5-hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
  • 4-((anti-5-Hydroxyadamantan-2-yl)amino)-1H-pyrrolo(2,3-b)pyridine-5-carboxamide
  • 4-(((1R,2s,3S,5s,7s)-5-hydroxyadamantan-2-yl)amino)-1H-pyrrolo(2,3-b)pyridine-5-carboxamide
  • Stereoisomer of 4-[(5-hydroxytricyclo[3.3.1.13,7]dec-2-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

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
326.40 g/molcalc.
Exact mass
326.1743 Dacalc.
LogP (octanol/water)
2.01calc.
Topological polar surface area
104 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
24calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
5calc.
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(NC2C3CC4CC(C3)CC2C4)c2cc[nH]c2n1

c1cc(NC2C3CC4CC(C3)CC2C4)c2cc[nH]c2n1

6 rings, 20 atoms.

14 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.

Peficitinib suppliers

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

All 2 suppliers

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Where suppliers are based

2 suppliers in 1 country

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

Frequently asked questions

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

What is Peficitinib?

Peficitinib is a chemical substance with the molecular formula C18H22N4O2 and a molar mass of 326.40 g/mol. Its CAS registry number is 944118-01-8. The IUPAC name is 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the CAS number of Peficitinib?

The CAS registry number of Peficitinib is 944118-01-8. Other or deprecated CAS numbers: 944134-74-1.

What is the molecular formula and weight of Peficitinib?

The molecular formula of Peficitinib is C18H22N4O2 and its molar mass is 326.40 g/mol.

What is Peficitinib used for?

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

Is Peficitinib hazardous?

No GHS hazard classification for Peficitinib 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 Peficitinib?

Peficitinib 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 Peficitinib?

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

What is the price of Peficitinib?

Suppliers quote Peficitinib 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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