≥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.
BMS-P5 free base is a specific and orally active peptidylarginine deiminase 4 (PAD4) inhibitor. BMS-P5 free base blocks MM-induced NET formation and delays progression of MM in a syngeneic mouse model
| パブケム・シド | 528763491 |
|---|---|
| パブケム・シド・ウル | https://pubchem.ncbi.nlm.nih.gov/substance/528763491 |
| カノニカル・スマイル | CC1CCC(CN1C(=O)C2=CC3=C(C(=C2)OC)N(C(=N3)C4=CC5=C(N4CC6CC6)N=CC=C5)C)N |
| IUPAC Name | [(2S,5R)-5-amino-2-methylpiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone |
| InChIKey | PXJXCBYHGJEEJH-OXJNMPFZSA-N |
| INCHI | 1S/C27H32N6O2/c1-16-6-9-20(28)15-32(16)27(34)19-11-21-24(23(13-19)35-3)31(2)26(30-21)22-12-18-5-4-10-29-25(18)33(22)14-17-7-8-17/h4-5,10-13,16-17,20H,6-9,14-15,28H2,1-3H3/t16-,20+/m0/s1 |
| 異性体SMILES | C[C@H]1CC[C@H](CN1C(=O)C2=CC3=C(C(=C2)OC)N(C(=N3)C4=CC5=C(N4CC6CC6)N=CC=C5)C)N |
| PubChem CID | 118158953 |
| 分子量 | 472.6 |
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 |
| 分類 | Piperidines |
| Subclass | N-acylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzoylpiperidines |
| Alternative Parents | Benzimidazoles Anisoles Methylpyridines Alkyl aryl ethers Substituted pyrroles N-substituted imidazoles N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-benzoylpiperidine - Benzimidazole - Anisole - Methylpyridine - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Pyridine - N-substituted imidazole - N-acyl-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | 日付 | 商品 |
|---|---|---|---|
 B2402113 | Certificate of Analysis | Dec 29, 2023 | B414440 |
| B2402114 | Certificate of Analysis | Dec 29, 2023 | B414440 |
| B2402115 | Certificate of Analysis | Dec 29, 2023 | B414440 |
| B2402116 | Certificate of Analysis | Dec 29, 2023 | B414440 |
| B2402117 | Certificate of Analysis | Dec 29, 2023 | B414440 |
| B2402118 | Certificate of Analysis | Dec 29, 2023 | B414440 |
| 分子量 | 472.600 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 472.259 Da |
| Monoisotopic Mass | 472.259 Da |
| Topological Polar Surface Area | 91.200 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 779.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
