Products for Research Use Only
RegisterLogin

BMS-P5

CAT: 0804-HY-137655-07Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-137655-07Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BMS-P5 is a selective and orally active peptidylarginine deiminase 4 (PAD4) inhibitor with an IC50 of 98 nM. BMS-P5 shows selective for PAD4 over PAD1, PAD2, and PAD3. BMS-P5 blocks multiple myeloma (MM) -induced neutrophil extracellular trap (NET) formation and delays progression of MM in a syngeneic mouse model[1].
CAS Number
1549811-36-0
UNSPSC
12352005
Target
Protein Arginine Deiminase
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/bms-p5.html
Purity
99.23
Solubility
DMSO : 35 mg/mL (ultrasonic)
Smiles
O=C(N1[C@@H](C)CC[C@@H](N)C1)C2=CC(OC)=C3C(N=C(C4=CC5=CC=CN=C5N4CC6CC6)N3C)=C2.[H]Cl
Molecular Formula
C27H33ClN6O2
Molecular Weight
509.04
References & Citations
[1]Marina Li, et al. 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.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 140275843
CAS Number1549811-36-0
PubChem CID140275843
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;hydrochloride
Molecular FormulaC27H33ClN6O2
Molecular Weight509.0
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity779
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.Cl
InChI
InChI=1S/C27H32N6O2.ClH/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;1H/t16-,20+;/m0./s1
InChIKey
UMXWDEKCDIDCBA-VASSOYJASA-N
Chemical Structure
2D Structure
2D structure of CID 140275843
CAS: 1549811-36-0
CID: 140275843
Formula: C27H33ClN6O2
MW: 509.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass508.2353520
Monoisotopic Mass508.2353520
Topological Polar Surface Area91.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-P10716-01Exendin-P5
HY-P5803Pardaxin P5
HY-156693MTvkPABC-P5
HY-156693A-01MTvkPABC-P5 (TFA)
HY-P5803A-01Pardaxin P5 (TFA)
HY-P1887P5 Ligand for Dnak and DnaJ
HY-163099-01P5 (PEG24) -VC-PAB-Exatecan
HY-124995BMS-986126
HY-120624BMS-354326
HY-120540BMS-182264

Alternative Products

CatalogName
AMC37122-01BMS-P5
GTR19172831-01BMS-P5 free base
T79877-01MTvkPABC-P5
GTR19210817-01Aseanostatin P5
GTR19065941-01Exendin-P5
MBS5822107Pardaxin P5

Popular Products