Catalog No.:AA008T6M

1092578-47-6 | (3S,4S)-Tofacitinib

Name: Name:(3S,4S)-Tofacitinib
Brand: AABLOCKS
SKU: AA008T6M
Availability: InStock
Rating: 90 (10 reviews)

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Purity

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Quantity

5mg

97%

in stock

$164.00 $115.00

- +

25mg

97%

in stock

$418.00 $293.00

- +

100mg

97%

in stock

$902.00 $632.00

- +

Technical Information
Properties
Literature
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA008T6M

Chemical Name:

(3S,4S)-Tofacitinib

CAS Number:

1092578-47-6

Molecular Formula:

C16H20N6O

Molecular Weight:

312.3696

MDL Number:

MFCD11035920

SMILES:

N#CCC(=O)N1CC[C@@H]([C@@H](C1)N(c1ncnc2c1cc[nH]2)C)C

Properties

Computed Properties

Complexity:

488

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

1.5

Literature

Title: Discovery of CP-690,550: a potent and selective Janus kinase (JAK) inhibitor for the treatment of autoimmune diseases and organ transplant rejection.

Journal: Journal of medicinal chemistry 20101223

Title: Examining the chirality, conformation and selective kinase inhibition of 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile (CP-690,550).

Journal: Journal of medicinal chemistry 20081225

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SDS