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BMS 470539 dihydrochloride - ≥98%(HPLC), high purity , CAS No.2341796-82-3
Potent, selective MC1receptor agonist
Basic Description
| Synonyms |
AKOS024457951 | AS-16520 | HY-115644 | BMS470539 dihydrochloride | BMS-470539 dihydrochloride | 1-[1-(3-Methyl-L-histidyl-O-methyl-D-tyrosyl)-4-phenyl-4-piperidinyl]-1-butanone dihydrochloride | 2341796-82-3 | BMS-470539 (dihydrochloride) | (2S)-2-amino-N |
| Specifications & Purity |
≥98%(HPLC) |
| Biochemical and Physiological Mechanisms |
Potent, selective melanocortin MC1receptor agonist (IC50= 120 nM). Exhibits anti-inflammatory properties following ischemia-reperfusion in the vasculature. Inhibits leukocyte trafficking. |
| Storage Temp |
Room temperature,Desiccated |
| Shipped In |
Normal |
Names and Identifiers
| IUPAC Name |
(2S)-2-amino-N-[(2R)-1-(4-butanoyl-4-phenylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-(3-methylimidazol-4-yl)propanamide;dihydrochloride |
| INCHI |
InChI=1S/C32H41N5O4.2ClH/c1-4-8-29(38)32(24-9-6-5-7-10-24)15-17-37(18-16-32)31(40)28(19-23-11-13-26(41-3)14-12-23)35-30(39)27(33)20-25-21-34-22-36(25)2;;/h5-7,9-14,21-22,27-28H,4,8,15-20,33H2,1-3H3,(H,35,39);2*1H/t27-,28+;;/m0../s1 |
| InChIKey |
DUAOBJHRUKFKIH-YDVFRNEYSA-N |
| Smiles |
CCCC(=O)C1(CCN(CC1)C(=O)C(CC2=CC=C(C=C2)OC)NC(=O)C(CC3=CN=CN3C)N)C4=CC=CC=C4.Cl.Cl |
| Isomeric SMILES |
CCCC(=O)C1(CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)OC)NC(=O)[C@H](CC3=CN=CN3C)N)C4=CC=CC=C4.Cl.Cl |
| PubChem CID |
60210130 |
| Molecular Weight |
632.62 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
| Solubility |
Solvent:water, Max Conc. mg/mL: 63.26, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 63.26, Max Conc. mM: 100 |
| Molecular Weight |
632.600 g/mol |
| XLogP3 |
|
| Hydrogen Bond Donor Count |
4 |
| Hydrogen Bond Acceptor Count |
6 |
| Rotatable Bond Count |
12 |
| Exact Mass |
631.269 Da |
| Monoisotopic Mass |
631.269 Da |
| Topological Polar Surface Area |
120.000 Ų |
| Heavy Atom Count |
43 |
| Formal Charge |
0 |
| Complexity |
862.000 |
| 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 |
3 |
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