Products for Research Use Only

BMS-P5

CAT: 1410-M27535-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1410-M27535-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BMS-P5 is a specific and orally active Peptidylarginine Deiminase 4 (PAD4) inhibitor.
CAS Number
1549811-36-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
509.04
Molecular Formula
C27H33ClN6O2
Notes
Research use only, not for human use.
Receptor
COX|HO-1|NOS|Nrf2|PKC

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...
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