3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile

Basic Information

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CAS Number

477600-75-2

Molecular Formula

C16H20N6O

Molecular Weight

301.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

SMILES

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CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

InChI

InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1

InChIKey

UJLAWZDWDVHWOW-YPMHNXCESA-N

LogP

2.0410999999999992

Topological Polar Surface Area

65.12 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

488

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AR-270/43507983
3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidyl]-3-oxo-propanenitrile
DTXCID00119762
Cp-690 free base
C16H20N6O
NCGC00229511-04
BRD-K31283835-001-01-9
3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile
AC-8193
NCGC00229511-10
3-{(3R,4R)-4-Methyl-3-[methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino]-piperidin-1-yl}-3-oxo-propionitrile
477600-75-2 (free base)
CP-690,550
CP- 690 550
rac-Tofacitinib
BRD-K31283835-048-04-4
1259404-17-5
TOFACITINIB [MI]
A7301
1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-beta-OXO-, (3R,4R)-
J-524314
racemic-Tasocitinib
HSDB 8311
GS-6106
(+)-TOFACITINIB
Tofacitinib;3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile
CP-690-550
CP690,550
D09970
HY-40354
3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile

MDL Number

MFCD11035919

Customs Code

29335990

FAQ

What is 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2)?

3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2) is a complex organic compound containing a pyrrolo[2,3-d]pyrimidine ring, a pipyridine moiety with stereochemistry (3R,4R), and a propanenitrile group. It is known for its potential in pharmaceutical research, exhibiting structural features common in drug development. The compound is typically a solid at room temperature and may have polar properties due to its functional groups.

What are the main uses of 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]p Piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2)?

The primary use of 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2) is in pharmaceutical research as a potential drug candidate. It may serve as an intermediate in synthesizing compounds targeting neurological or metabolic disorders. Additionally, it is used in chemical synthesis for developing bioactive molecules and may have applications in industrial processes requiring specific functional group manipulations.

Is 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2) safe?

Safety of 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2) depends on exposure conditions. It is generally considered hazardous due to its chemical structure, requiring proper ventilation and PPE during handling. Safety standards advise adherence to OSHA guidelines, and it should not be ingested or inhaled without protective measures. Always consult safety data sheets for specific precautions.

How should 3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2) be stored?

3-[(3R,4R)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile (CAS: 477600-75-2) should be stored in a cool, dry place (ideally 2-8°C), away from light, and in airtight containers to prevent moisture absorption. It is sensitive to hydrolysis and should be kept separate from strong oxidizers or acids. Ensure storage conditions meet IUPAC guidelines for stability and safety.