Catalog No.:AA008T6I

1092578-46-5 | (3R,4S)-Tofacitinib

Name: Name:(3R,4S)-Tofacitinib
Brand: AABLOCKS
SKU: AA008T6I
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10mg

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$1,286.00 $900.00

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50mg

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$3,738.00 $2,617.00

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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA008T6I

Chemical Name:

(3R,4S)-Tofacitinib

CAS Number:

1092578-46-5

Molecular Formula:

C16H20N6O

Molecular Weight:

312.3696

MDL Number:

MFCD23160057

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

Downstream Synthesis Route

N-methyl-N-((3R,4S)-4-methylpiperidin-3-yl)-7H-pyrrolo2,3-dpyrimidin-4-amine

372-09-8

1092578-46-5

[1]Jiang,Jian-Kang;Ghoreschi,Kamran;Deflorian,Francesca;Chen,Zhi;Perreira,Melissa;Pesu,Marko;Smith,Jeremy;Nguyen,Dac-Trung;Liu,EricH.;Leister,William;Costanzi,Stefano;O'Shea,JohnJ.;Thomas,CraigJ.[JournalofMedicinalChemistry,2008,vol.51,#24,p.8012-8018]

Literature

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