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BMS-P5 free base - 98%, high purity , CAS No.1550371-22-6

COA

Grade & Purity:

≥98%

Cas Number: 1550371-22-6
Molecular Weight: 472.6
PubChem CID: 118158953

In stock

Item Number

B414440

Grouped product items
SKU	Size	Availability	Price
B414440-1mg	1mg	3	$39.90
B414440-5mg	5mg	3	$119.90
B414440-10mg	10mg	2	$199.90
B414440-25mg	25mg	2	$389.90
B414440-50mg	50mg	2	$669.90

View related series

Epigenetics (1496) Histone Modification (1379) Protein Arginine Deiminase (14)

Basic Description

Synonyms	EX-A4667 \| BMS-P5 \| ((2S,5R)-5-Amino-2-methylpiperidin-1-yl)(2-(1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzo[d]imidazol-5-yl)methanone
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	BMS-P5 (EX-A4667) is a specific and orally active inhibitor of peptidylarginine deiminase 4 (PAD4).
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass N-acylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

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
INCHI	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
InChIKey	PXJXCBYHGJEEJH-OXJNMPFZSA-N
Smiles	CC1CCC(CN1C(=O)C2=CC3=C(C(=C2)OC)N(C(=N3)C4=CC5=C(N4CC6CC6)N=CC=C5)C)N
Isomeric 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
Molecular Weight	472.6

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2402113	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
B2402114	Certificate of Analysis	Dec 29, 2023	B414440

Chemical and Physical Properties

Molecular Weight	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 Å²
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

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