BMS-P5 free base | CAS#1550371-22-6 | PAD4 inhibitor

MedKoo Cat#: 555900 | Name: BMS-P5 free base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

BMS-P5 is a Novel Peptidylarginine Deiminase 4 (PAD4) Inhibitor with pIC50 values in the range of 5-7.5. BMS-P5 Blocks Formation of Neutrophil Extracellular Traps and Delays Progression of Multiple Myeloma. Administration of BMS-P5 to multiple myeloma-bearing mice delays appearance of symptoms and disease progression Targeting PAD4 may be beneficial for treatment of multiple myeloma.

Chemical Structure

BMS-P5 free base

CAS#1550371-22-6 (free base)

Theoretical Analysis

MedKoo Cat#: 555900

Name: BMS-P5 free base

CAS#: 1550371-22-6 (free base)

Chemical Formula: C27H32N6O2

Exact Mass: 472.2587

Molecular Weight: 472.59

Elemental Analysis: C, 68.62; H, 6.83; N, 17.78; O, 6.77

Price and Availability

Size	Price	Availability
25mg	USD 550.00	2 Weeks
50mg	USD 950.00	2 Weeks
100mg	USD 1,450.00	2 Weeks
200mg	USD 2,450.00	2 Weeks

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Related CAS #

1549811-36-0 (HCl) 1550371-22-6 (free base)

Synonym

BMS-P5 free base; BMS-P5; BMSP5; BMS P5;

IUPAC/Chemical Name

((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

InChi Key

PXJXCBYHGJEEJH-OXJNMPFZSA-N

InChi Code

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

SMILES Code

O=C(C1=CC(OC)=C2C(N=C(N2C)C3=CC4=CC=CN=C4N3CC5CC5)=C1)N6[C@H](CC[C@H](C6)N)C

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

BMS-P5 free base is a specific and orally active peptidylarginine deiminase 4 (PAD4) inhibitor.

In vitro activity:

BMS-P5 (Fig. 3A) is a potent selective pharmacological inhibitor of PAD4 (Supplementary Table 1) and was used to evaluate the effect of PAD4 inhibition on MM-induced NET formation. Reference: Mol Cancer Ther. 2020 Jul;19(7):1530-1538. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7335350/

In vivo activity:

DP42-bearing mice were treated with BMS-P5 or vehicle control and the onset of disease symptoms (paralysis and hunched posture) and mice survival were evaluated. Administration of BMS-P5 significantly delayed development of symptoms (Fig. 6A) and significantly prolonged survival of MM-bearing mice (Fig. 6B). Reference: Mol Cancer Ther. 2020 Jul;19(7):1530-1538. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7335350/

	Solvent	mg/mL	mM
Solubility
	DMSO	127.5	269.79
	DMF	20.0	42.32
	Ethanol	30.0	63.48
	Ethanol:PBS (pH 7.2) (1:8)	0.1	0.23

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 472.59 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Li M, Lin C, Deng H, Strnad J, Bernabei L, Vogl DT, Burke JJ, Nefedova Y. A Novel Peptidylarginine Deiminase 4 (PAD4) Inhibitor BMS-P5 Blocks Formation of Neutrophil Extracellular Traps and Delays Progression of Multiple Myeloma. Mol Cancer Ther. 2020 Jul;19(7):1530-1538. doi: 10.1158/1535-7163.MCT-19-1020. Epub 2020 May 5. PMID: 32371579; PMCID: PMC7335350.

In vitro protocol:

In vivo protocol:

Li M, Lin C, Deng H, Strnad J, Bernabei L, Vogl DT, Burke JJ, Nefedova Y. A Novel Peptidylarginine Deiminase 4 (PAD4) Inhibitor BMS-P5 Blocks Formation of Neutrophil Extracellular Traps and Delays Progression of Multiple Myeloma. Mol Cancer Ther. 2020 Jul;19(7):1530-1538. doi: 10.1158/1535-7163.MCT-19-1020. Epub 2020 May 5. PMID: 32371579; PMCID: PMC7335350.