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MedKoo Cat#: 532476 | Name: PS020990

Description:

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

PS020990 is a bradykinin B1 receptor antagonist.

Chemical Structure

PS020990
PS020990
CAS#NA

Theoretical Analysis

MedKoo Cat#: 532476

Name: PS020990

CAS#: NA

Chemical Formula: C30H33Cl2N7O

Exact Mass: 577.2124

Molecular Weight: 578.50

Elemental Analysis: C, 62.28; H, 5.75; Cl, 12.25; N, 16.95; O, 2.77

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 578.50 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.

Recalculate based on batch purity %
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.