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Ruxolitinib

CAS 941678-49-5C17H18N6MW 306.4

Ruxolitinib (CAS 941678-49-5) — formula C17H18N6, molecular weight 306.4; category organic chemicals.

Product Description

Ruxolitinib (CAS 941678-49-5) is a chemical raw material in the organic chemicals category. Its molecular formula C17H18N6 comprises 17 C, 18 H, 6 N atoms. Its molecular weight is about 306.4. Reported physicochemical data: melting point around 86, boiling point around 592.6, LogP about 2.55. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number941678-49-5
Molecular FormulaC17H18N6
Molecular Weight306.4
Melting Point86
Boiling Point592.6
LogP2.55
ApplicationsMEDICATION, 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
CategoryOrganic Chemicals

Applications

Documented applications: 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.

Technical Profile

What this product is

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.

Identification

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

Frequently Asked Questions

What is the CAS number of Ruxolitinib?

The CAS registry number of Ruxolitinib is 941678-49-5.

What is the molecular formula and molecular weight of Ruxolitinib?

Molecular formula C17H18N6, molecular weight 306.4.

What other names is Ruxolitinib known by?

It is also registered under: Ruxolitinib, 鲁索利替尼.

What are the documented applications of Ruxolitinib?

Recorded applications: 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.

Which category does Ruxolitinib belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Ruxolitinib (CAS 941678-49-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Number941678-49-5
PubChem CID25126798
Molecular FormulaC17H18N6
IUPAC Name(3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
UNII (FDA)82S8X8XX8H

Computed descriptors

Molecular Weight306.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass306.15929460
Monoisotopic Mass306.15929460
Topological Polar Surface Area83.2
Heavy Atom Count23

Physicochemical values on record

Boiling Point592.6
Melting Point86
LogP2.55

Synonyms and trade names

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)-

GHS hazard classification

Notified hazard statementsH361 (100%), H373 (100%)

Source: PubChem / Wikidata; the batch COA governs where values differ.

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