≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
CC-671 is a selectively dual inhibitor ofTTK (human protein kinase monopolar spindle 1 [hMps1])andCDC like kinase 2 (CLK2)with IC50s of 5 nM and 3 nM for TTK and CLK2, respectively.
| Sonrisas canónicas | CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6 |
|---|---|
| IUPAC Name | 4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide |
| InChIKey | CWJLAVRXVFHDSJ-UHFFFAOYSA-N |
| INCHI | 1S/C28H28N6O4/c1-15-31-21-10-8-16(12-23(21)37-15)19-14-30-25-24(19)27(38-18-6-4-5-7-18)34-28(33-25)32-20-11-9-17(26(35)29-2)13-22(20)36-3/h8-14,18H,4-7H2,1-3H3,(H,29,35)(H2,30,32,33,34) |
| Isómeros SMILES | CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6 |
| Peso molecular | 512.56 |
| Reaxy-Rn | 27117492 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27117492&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Benzoxazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazoles |
| Alternative Parents | Pyrrolo[2,3-d]pyrimidines Methoxyanilines Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Substituted pyrroles Oxazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrrolo[2,3-d]pyrimidine - Methoxyaniline - Pyrrolopyrimidine - Benzoxazole - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Benzoyl - Anisole - Aminopyrimidine - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Oxazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 B2427096 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427108 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427109 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427110 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427111 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427112 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427119 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427120 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| B2427199 | Certificate of Analysis | Jan 20, 2024 | C413624 |
| Solubilidad | Solubility (25°C) In vitro DMSO: 100 mg/mL (195.09 mM); Water: Insoluble; Ethanol: Insoluble; |
|---|---|
| Peso molecular | 512.600 g/mol |
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 512.217 Da |
| Monoisotopic Mass | 512.217 Da |
| Topological Polar Surface Area | 127.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 814.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
