鲁索利替尼（CAS 941678-49-5）：分子式 C17H18N6、分子量 306.4。
| CAS号 | 941678-49-5 |
|---|---|
| 分子式 | C17H18N6 |
| 分子量 | 306.4 |
| 熔点 | 86 |
| 沸点 | 592.6 |
| LogP | 2.55 |
| 应用领域 | 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] |
登记用途：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]。
鲁索利替尼 是一种化工化合物，登记 CAS 号为 941678-49-5，分子式 C17H18N6（分子量 306.4）。
登记 CAS 号：941678-49-5
其分子式 C17H18N6 由 17 个碳、18 个氢、6 个氮 组成。
别名/同义词：鲁索利替尼 · Ruxolitinib
鲁索利替尼 的 CAS 登记号为 941678-49-5。
分子式 C17H18N6，分子量 306.4。
别名/同义词：鲁索利替尼、Ruxolitinib。
登记用途：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]。
鲁索利替尼（CAS 941678-49-5）的独立参考数据，整理自公开化学数据库。
| 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.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Ruxolitinib