Ruxolitinib (CAS 941678-49-5) — formula C17H18N6, molecular weight 306.4; category organic chemicals.
| CAS Number | 941678-49-5 |
|---|---|
| Molecular Formula | C17H18N6 |
| Molecular Weight | 306.4 |
| Melting Point | 86 |
| Boiling Point | 592.6 |
| LogP | 2.55 |
| Applications | Uses: MEDICATION, Methods of Manufacturing: The starting material 4-chloropyrrolo[2, 3-b]pyrimidine, prepared from the unsubstituted heterocycle by reaction first with m-chloroperbenzoic acid to give the N-oxide and then with mesyl chloride, is N-protected and thereafter converted to the 4-(pyrrol-4-yl) derivative by a Suzuki-Miyaura coupling with the pyrazole-4-pinacol borate. With 3-cyclopentylacrylonitrile in acetonitrile the pyrrolyl-NH group is then substituted and yields the racemic N-protected precursor molecule of ..., ruxolitinib, which is resolved by preparative HPLC and finally deprotected., Preparation: J. D. Rogers et al., World Intellectual Property Organization patent 07070514, J. D. Rogers, S. Shepard, United States of America patent 7598257 (2007, 2009 both to Incyte)., Formulations, Preparations: Table: Ruxolitinib Phosphate Preparations [Table#8241] |
| Category | Organic Chemicals |
Documented applications: Uses: MEDICATION, Methods of Manufacturing: The starting material 4-chloropyrrolo[2, 3-b]pyrimidine, prepared from the unsubstituted heterocycle by reaction first with m-chloroperbenzoic acid to give the N-oxide and then with mesyl chloride, is N-protected and thereafter converted to the 4-(pyrrol-4-yl) derivative by a Suzuki-Miyaura coupling with the pyrazole-4-pinacol borate. With 3-cyclopentylacrylonitrile in acetonitrile the pyrrolyl-NH group is then substituted and yields the racemic N-protected precursor molecule of ..., ruxolitinib, which is resolved by preparative HPLC and finally deprotected., Preparation: J. D. Rogers et al., World Intellectual Property Organization patent 07070514, J. D. Rogers, S. Shepard, United States of America patent 7598257 (2007, 2009 both to Incyte)., Formulations, Preparations: Table: Ruxolitinib Phosphate Preparations [Table#8241].
Ruxolitinib is a carbon-based organic compound with CAS registry number 941678-49-5 and molecular formula C17H18N6 (molecular weight 306.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 941678-49-5
Its molecular formula C17H18N6 comprises 17 C, 18 H, 6 N atoms.
Also known as: Ruxolitinib · 鲁索利替尼
Category: organic chemicals
The CAS registry number of Ruxolitinib is 941678-49-5.
Molecular formula C17H18N6, molecular weight 306.4.
It is also registered under: Ruxolitinib, 鲁索利替尼.
Recorded applications: Uses: MEDICATION, Methods of Manufacturing: The starting material 4-chloropyrrolo[2, 3-b]pyrimidine, prepared from the unsubstituted heterocycle by reaction first with m-chloroperbenzoic acid to give the N-oxide and then with mesyl chloride, is N-protected and thereafter converted to the 4-(pyrrol-4-yl) derivative by a Suzuki-Miyaura coupling with the pyrazole-4-pinacol borate. With 3-cyclopentylacrylonitrile in acetonitrile the pyrrolyl-NH group is then substituted and yields the racemic N-protected precursor molecule of ..., ruxolitinib, which is resolved by preparative HPLC and finally deprotected., Preparation: J. D. Rogers et al., World Intellectual Property Organization patent 07070514, J. D. Rogers, S. Shepard, United States of America patent 7598257 (2007, 2009 both to Incyte)., Formulations, Preparations: Table: Ruxolitinib Phosphate Preparations [Table#8241].
Category: Organic Chemicals.
Independent reference data for Ruxolitinib (CAS 941678-49-5), compiled from public chemistry databases.
| CAS 号 | 941678-49-5 |
|---|---|
| PubChem CID | 25126798 |
| 分子式 | C17H18N6 |
| IUPAC 名称 | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile |
| UNII（FDA） | 82S8X8XX8H |
| Molecular Weight | 306.4 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 306.15929460 |
| Monoisotopic Mass | 306.15929460 |
| Topological Polar Surface Area | 83.2 |
| Heavy Atom Count | 23 |
| Boiling Point | 592.6 |
|---|---|
| Melting Point | 86 |
| LogP | 2.55 |
Ruxolitinib; 941678-49-5; INCB018424; INCB-018424; INCB18424; INC424; 82S8X8XX8H; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; INC-424; INCB-18424; (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile; CHEBI:66919; DTXSID10240930; (3R)-3-cyclopentyl-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)propanenitrile; (3R)-3-CYCLOPENTYL-3-(4-(7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)PYRAZOL-1-YL)PROPANENITRILE; 1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-,(betaR)-
| 已通报的危害声明 | H361 (100%), H373 (100%) |
|---|
鲁索利替尼 · CAS 941678-49-5 · C17H18N6. UNII 82S8X8XX8H. Boiling Point: 592.6; Melting Point: 86; LogP: 2.55.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 鲁索利替尼