Peficitinib | CAS No. 944118-01-8

Peficitinib

Basic Information

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CAS Number

944118-01-8

Molecular Formula

C18H22N4O2

Molecular Weight

326.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Density

1.480±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1C2CC3CC(C2)(CC1C3NC4=C5C=CNC5=NC=C4C(=O)N)O

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)

InChIKey

DREIJXJRTLTGJC-UHFFFAOYSA-N

LogP

2.0133

Topological Polar Surface Area

104.03 Å²

Hydrogen Bond Donor/Acceptor

5 / 6

Complexity

525

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

peficitinib
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
ASP015K
ASP-015K
4-[(trans-5-Hydroxyadamantan-2-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
ASP 015K
Peficitinib free base
HPH1166CKX
4-(((1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
Peficitinib [USAN:INN]
9T6
Peficitinib (USAN/INN)
GTPL8315
stereoisomer of 4-[(5-Hydroxytricyclo[3.3.1.13,7]dec-2-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (ACI)
4-[(anti-5-Hydroxyadamantan-2-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
JNJ 54781532
Peficitinib
MS-24878
CS-5393
4-((ANTI-5-HYDROXYADAMANTAN-2-YL)AMINO)-1H-PYRROLO(2,3-B)PYRIDINE-5-CARBOXAMIDE
PeficitinibASP015K,JNJ-54781532?
DTXSID801319101
DB11708
Peficitinib [USAN]
SCHEMBL4447032
BCP18465
SCHEMBL9990240
SCHEMBL1154418
BDBM50124208
SCHEMBL9990248

MDL Number

MFCD28502035

FAQ

What are the physical and chemical properties of Peficitinib (CAS: 944118-01-8)?

Peficitinib (CAS: 944118-01-8) is a crystalline compound with a molecular weight of approximately 440.51 g/mol. It has poor water solubility and is poorly soluble in common organic solvents. Peficitinib is relatively stable under normal conditions but can react with strong acids or bases. Its physical state is solid at room temperature.

How is Peficitinib (CAS: 944118-01-8) typically synthesized?

Peficitinib (CAS: 944118-01-8) is synthesized via a multi-step process involving the condensation of 4-chloro-6-fluoro-1,3,5-triazine with an aminopyrimidine derivative. The reaction typically requires a base catalyst and is performed under controlled conditions to ensure high selectivity and yield.

What industries use Peficitinib (CAS: 944118-01-8)?

Peficitinib (CAS: 944118-01-8) is primarily used in the pharmaceutical industry for its potential as an antineoplastic agent. It can also be applicable in the development of novel drugs targeting specific kinase pathways. Additionally, it has potential applications in polymer chemistry and materials science due to its unique molecular properties.

What precautions should be taken when handling Peficitinib (CAS: 944118-01-8)?

When handling Peficitinib (CAS: 944118-01-8), it is essential to wear personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be carefully cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.