(3S,4S)-Tofacitinib

Base Information

Chemical Name:(3S,4S)-Tofacitinib
CAS No.:1092578-47-6
Molecular Formula:C16H20N6O
Molecular Weight:312.37
Hs Code.:
UNII:C3EP7ZZ9UQ
ChEMBL ID:CHEMBL459769
DSSTox Substance ID:DTXSID10602594
Wikidata:Q72493065
Mol file:1092578-47-6.mol

Synonyms:(3S,4S)-Tofacitinib;1092578-47-6;3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile;(-)-Tofacitinib;C3EP7ZZ9UQ;Tofacitinib, (3S,4S)-;CHEMBL459769;3-[(3S,4S)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;racemic-Tasocitinib;3-((3S,4S)-4-Methyl-3-(methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile;3-[(3S,4S)-4-METHYL-3-[METHYL(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]-1-PIPERIDYL]-3-OXO-PROPANENITRILE;1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-, (3S,4S)-;(3S,4S)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-?-oxo-1-piperidinepropanenitrile;ent-Tofacitinib;3-{(3S,4S)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile;UNII-C3EP7ZZ9UQ;SCHEMBL23058868;AMY6188;DTXSID10602594;BDBM50273930;HY-40354C;MFCD11035920;AKOS016015817;CS-1108;NCGC00348153-01;AS-74811;D88145;A1-24394;J-501293;1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YLAMINO)-.BETA.-OXO-, (3S,4S)-;1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamino)-beta-oxo-, (3S,4S)-;3-[(3S,4S)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile

Suppliers and Price of (3S,4S)-Tofacitinib

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(3S,4S)-Tofacitinib
50mg
$ 11550.00

Medical Isotopes, Inc.
(3S,4S)-Tofacitinib
25 mg
$ 10250.00

Labseeker
3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 95
1g
$ 3125.00

Crysdot
(3S,4S)-Tofacitinib 98+%
5mg
$ 1628.00

ChemScene
(3S,4S)-Tofacitinib 99.24%
5mg
$ 1950.00

American Custom Chemicals Corporation
3-((3S,4S)-4-METHYL-3-(METHYL-(7H-PYRROLO-[2,3-D]PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3-OXOPROPANENITRILE 95.00%
1G
$ 1401.75

American Custom Chemicals Corporation
3-((3S,4S)-4-METHYL-3-(METHYL-(7H-PYRROLO-[2,3-D]PYRIMIDIN-4-YL)AMINO)PIPERIDIN-1-YL)-3-OXOPROPANENITRILE 95.00%
5MG
$ 499.10

A1 Biochem Labs
3-((3S,4S)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 95%
1 g
$ 2100.00

Total 22 raw suppliers

Chemical Property of (3S,4S)-Tofacitinib

Chemical Property:

PKA:6.04±0.60(Predicted)
PSA：88.91000
Density:1.296 g/cm³
LogP:1.48268
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:312.16985928
Heavy Atom Count:23
Complexity:488

Purity/Quality:

98%,99%, ^*data from raw suppliers

(3S,4S)-Tofacitinib ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
Isomeric SMILES:C[C@H]1CCN(C[C@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N
Uses (3S,4S)-Tofacitinib is an enantiopure stereoisomer of the drug, Janus kinase 3(Jak3) inhibitor(CP-690,550).

Technology Process of (3S,4S)-Tofacitinib

There total 1 articles about (3S,4S)-Tofacitinib which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: