N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

CAS NO.：477600-74-1
Empirical Formula: C13H19N5
Molecular Weight: 245.32
MDL number: MFCD09878608
SAFETY DATA SHEET (SDS)
Update Date: 2024-12-27 17:26:58

What is N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

Description

N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is an important pharmaceutical intermediate that is a by-product of the preparation of tofacitinib. Tofacitinib belongs to a class of Janus kinase (JAK) inhibitors used in the treatment of rheumatoid arthritis and psoriatic arthritis.

The Uses of N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-Methyl-N-((3S,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, is an intermediate in the synthesis of (3S,4R)-Tofacitinib (T528010), an enantiopure stereoisomer of the drug, Janus kinase 3(Jak3) inhibitor (CP-690,550) that has been found to inhibit selected members of the STE7 and STE20 subfamily of kinases.

Properties of N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Melting point:	157 - 162°C
Density	1?+-.0.06 g/cm3(Predicted)
storage temp.	2-8°C(protect from light)
solubility	Aqueous Acid (Slightly), Methanol (Slightly), Water (Slightly, Heated)
form	Solid
pka	13.36±0.50(Predicted)
color	White to Off-White
InChI	InChI=1S/C13H19N5/c1-9-3-5-14-7-11(9)18(2)13-10-4-6-15-12(10)16-8-17-13/h4,6,8-9,11,14H,3,5,7H2,1-2H3,(H,15,16,17)/t9-,11+/m1/s1

Safety information for N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

InChIKey	XRIARWQZLGCQDM-KOLCDFICSA-N
SMILES	C1=NC(N(C)[C@@H]2[C@H](C)CCNC2)=C2C=CNC2=N1

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