WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 532476
CAS#: NA
Description: PS020990 is a bradykinin B1 receptor antagonist.
MedKoo Cat#: 532476
Name: PS020990
CAS#: NA
Chemical Formula: C30H33Cl2N7O
Exact Mass: 577.2124
Molecular Weight: 578.5
Elemental Analysis: C, 62.28; H, 5.75; Cl, 12.25; N, 16.95; O, 2.77
This product is not in stock, which may be available by custom synthesis.
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Synonym: PS020990; PS 020990; PS-020990.
IUPAC/Chemical Name: N-[(4-chlorophenyl)methyl]-2-[[2-[(3-chlorophenyl)methylamino]-6-imidazol-1-ylpyrimidin-4-yl]amino]-3-cyclohexylpropanamide
InChi Key: LCABEBHBHHLVDY-UHFFFAOYSA-N
InChi Code: InChI=1S/C30H33Cl2N7O/c1-38(25-9-5-8-24(32)17-25)30-36-27(18-28(37-30)39-15-14-33-20-39)35-26(16-21-6-3-2-4-7-21)29(40)34-19-22-10-12-23(31)13-11-22/h5,8-15,17-18,20-21,26H,2-4,6-7,16,19H2,1H3,(H,34,40)(H,35,36,37)
SMILES Code: O=C(NCC1=CC=C(Cl)C=C1)C(NC2=NC(N(C3=CC=CC(Cl)=C3)C)=NC(N4C=CN=C4)=C2)CC5CCCCC5
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
The following data is based on the product molecular weight 578.5 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 |
1: Lupala CS, Gomez-Gutierrez P, Perez JJ. New insights into the stereochemical requirements of the bradykinin B1 receptor antagonists binding. J Mol Graph Model. 2016 Jul;68:184-96. doi: 10.1016/j.jmgm.2016.06.010. Epub 2016 Jul 1. PubMed PMID: 27469392.
2: Horlick RA, Ohlmeyer MH, Stroke IL, Strohl B, Pan G, Schilling AE, Paradkar V, Quintero JG, You M, Riviello C, Thorn MB, Damaj B, Fitzpatrick VD, Dolle RE, Webb ML, Baldwin JJ, Sigal NH. Small molecule antagonists of the bradykinin B1 receptor. Immunopharmacology. 1999 Sep;43(2-3):169-77. PubMed PMID: 10596850.
