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Chemical structure of (2R,5S)-Ritlecitinib

GC62130

(2R,5S)-Ritlecitinib

Also known as 1-[(2R,5S)-2-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]prop-2-en-1-one

(2R,5S)-Ritlecitinib ((2R,5S)-PF-06651600) is a potent and selective JAK3 inhibitor (IC50=144·8 nM) extracted from patent US20150158864A1, example 68

ChemicalCAS1792180-79-0MW285.34FormulaC15H19N5O
CAS number
1792180-79-0
Molecular weight
285.34
Formula
C15H19N5O
Solubility
DMSO ： 220 mg/mL (771·01 mM; Need ultrasonic)
InChIKey
CBRJPFGIXUFMTM-MNOVXSKESA-N
Catalogue number
GC62130
Brand
GLPBIO
Computed properties PubChem CID 118116220 · XLogP 2.1 · TPSA 73.9 Ų · H-bond donors 2
XLogP
2.1
TPSA
73.9 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21

SMILES C[C@@H]1CC[C@@H](CN1C(=O)C=C)NC2=NC=NC3=C2C=CN3

Computed descriptors from PubChem (CID 118116220), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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