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MedKoo Cat#: 563010 | Name: A457 Antagonist

Description:

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

A457 is a prokineticin receptor antagonist.

Chemical Structure

A457 Antagonist
A457 Antagonist
CAS#1233923-95-9

Theoretical Analysis

MedKoo Cat#: 563010

Name: A457 Antagonist

CAS#: 1233923-95-9

Chemical Formula: C26H33ClN2O3

Exact Mass: 456.2180

Molecular Weight: 457.01

Elemental Analysis: C, 68.33; H, 7.28; Cl, 7.76; N, 6.13; O, 10.50

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
A457; A-457; A 457; A457 Antagonist;
IUPAC/Chemical Name
1-Benzyl-pyrrolidine-3-carboxylic acid (9-chloro-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-ylmethyl)-isobutyl-amide
InChi Key
IOXBZEKQVLIIQH-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
SMILES Code
O=C(C1CN(CC2=CC=CC=C2)CC1)N(CC3=CC(Cl)=C4OCCCOC4=C3)CC(C)C
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 457.01 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: Deihim B, Hassanzadeh M, Shafiei-Jandaghi NZ, Amanlou M, Douraghi M. Characterization of the DNA mismatch repair proteins MutS and MutL in a hypermutator Acinetobacter baumannii. Microb Pathog. 2017 Dec;113:74-84. doi: 10.1016/j.micpath.2017.10.001. Epub 2017 Oct 5. PubMed PMID: 28988868. 2: Li M, Wu H, Yang Q, Ke H, Yin B, Shi Q, Wang W, Wei Q, Xie G, Chen S. Experimental and Theoretical Interpretation on the Magnetic Behavior in a Series of Pentagonal-Bipyramidal Dy(III) Single-Ion Magnets. Chemistry. 2017 Dec 14;23(70):17775-17787. doi: 10.1002/chem.201703755. Epub 2017 Nov 8. PubMed PMID: 28984390. 3: Graham C, Knox H, Hess LM, Jen M, Cuyun Carter G, Chandrawansa K, Boye M. Cost-Effectiveness In The Second-Line Treatment Of Non-Small Cell Lung Cancer (Nsclc) In The Us. Value Health. 2015 Nov;18(7):A457-8. doi: 10.1016/j.jval.2015.09.1174. Epub 2015 Oct 20. PubMed PMID: 26532571. 4: Dorey J, Disset A, Elmoctar Neine M, Plun-Favreau J, Toumi M. A Cost-Effectiveness Analysis Of A Genomic Test Compared To Standard Of Care In Breast Cancer Patients In France. Value Health. 2015 Nov;18(7):A457. doi: 10.1016/j.jval.2015.09.1172. Epub 2015 Oct 20. PubMed PMID: 26532570. 5: Mennini FS, Bianic F, Baio G, Largeron N, Plazzotta G, Rinaldi A, De Waure C, Bonanni P. Estimating The Cost-Effectiveness Profile Of A Vaccination Programme With A Nine-Valent Hpv Vaccine In Italy. Value Health. 2015 Nov;18(7):A457. doi: 10.1016/j.jval.2015.09.1171. Epub 2015 Oct 20. PubMed PMID: 26532569. 6: Aiello A, Daniel F, D'Ausilio A, Snedecor SJ, Toumi M. Cost-Effectiveness Of Nilotinib In Patients With Chronic Myeloid Leukaemia Eligible To Start The Treatment-Free Remission Phase In Italy. Value Health. 2015 Nov;18(7):A457. doi: 10.1016/j.jval.2015.09.1170. Epub 2015 Oct 20. PubMed PMID: 26532568. 7: Gourzoulidis G, Kourlaba G, Apostolidis J, Lyman GH, Villa G, Papagiannopoulou V, Tritaki G, Maniadakis N. Cost-Effectiveness Analysis Of Granulocyte Colony-Stimulating Factors For The Prophylaxis Of Chemotherapy-Induced Febrile Neutropenia In Patients With Non-Hodgkin's Lymphoma In Greece. Value Health. 2015 Nov;18(7):A457. doi: 10.1016/j.jval.2015.09.1173. Epub 2015 Oct 20. PubMed PMID: 26532567. 8: Zhang H, Yue L, Chen Y, Ding H, Zhao K, Montgomery W. Medication Usage Pattern, Health Resource Utilization and Economic Burden for Patients with Mdd in Beijing, China. Value Health. 2014 Nov;17(7):A457. doi: 10.1016/j.jval.2014.08.1256. Epub 2014 Oct 26. PubMed PMID: 27201275. 9: Pletscher M, Mattli R, Reich O, Von Wyl A, Wieser S. The Societal Costs of Schizophrenia in Switzerland. Value Health. 2014 Nov;17(7):A457. doi: 10.1016/j.jval.2014.08.1253. Epub 2014 Oct 26. PubMed PMID: 27201274. 10: Shei A, Hirst M, Kirson NY, Enloe CJ, Birnbaum HG, Dunlop W. A Model to Estimate the Health System Burden of Prescription Opioid Abuse in Europe. Value Health. 2014 Nov;17(7):A457. doi: 10.1016/j.jval.2014.08.1254. Epub 2014 Oct 26. PubMed PMID: 27201273. 11: Gupta S, Isherwood G, Jones K, Van Impe K. Productivity Loss and Resource Utilization in Individuals Providing Care for Adults with Schizophrenia in the 5eu. Value Health. 2014 Nov;17(7):A457. doi: 10.1016/j.jval.2014.08.1255. Epub 2014 Oct 26. PubMed PMID: 27201272. 12: Tockhorn A, Televantou F, Dilla T. Atomoxetine for the Treatment of Newly Diagnosed Adults with Adhd - a Cost Effectiveness Analysis in Spain. Value Health. 2014 Nov;17(7):A457. doi: 10.1016/j.jval.2014.08.1257. Epub 2014 Oct 26. PubMed PMID: 27201271. 13: Sapin C, Tempest MJ, Gaughran F, Beillat M, Robinson P, Treur M. Aripiprazole Once-Monthly is a Cost-Effective Therapeutic Option in the Maintenance Treatment of Schizophrenia: Results from a Markov Model. Value Health. 2014 Nov;17(7):A457-8. doi: 10.1016/j.jval.2014.08.1258. Epub 2014 Oct 26. PubMed PMID: 27201270. 14: Chen DN, Ma YT, Liu H, Zhou QY, Li JD. Functional rescue of Kallmann syndrome-associated prokineticin receptor 2 (PKR2) mutants deficient in trafficking. J Biol Chem. 2014 May 30;289(22):15518-26. doi: 10.1074/jbc.M114.556381. Epub 2014 Apr 21. PubMed PMID: 24753254; PubMed Central PMCID: PMC4140907. 15: Potera C. Still searching for better butter flavoring. Environ Health Perspect. 2012 Dec;120(12):A457. doi: 10.1289/ehp.120-a457. PubMed PMID: 23211186; PubMed Central PMCID: PMC3548289. 16: Guo ZY, Chang CC, Chang TY. Functionality of the seventh and eighth transmembrane domains of acyl-coenzyme A:cholesterol acyltransferase 1. Biochemistry. 2007 Sep 4;46(35):10063-71. Epub 2007 Aug 11. PubMed PMID: 17691824. 17: Fields S. New paint: no harm, no foul? Environ Health Perspect. 2003 Jul;111(9):A457. PubMed PMID: 12842791; PubMed Central PMCID: PMC1316932. 18: Guermonprez L, O'Regan S, Meunier FM, Morot-Gaudry-Talarmain Y. The neuronal choline transporter CHT1 is regulated by immunosuppressor-sensitive pathways. J Neurochem. 2002 Aug;82(4):874-84. PubMed PMID: 12358793. 19: Dooley EE. Rising from the ashes: NIEHS awards post-WTC grants. Environ Health Perspect. 2002 Aug;110(8):A457. PubMed PMID: 12199201; PubMed Central PMCID: PMC1240966. 20: Tack D, Dolatabadi D, Delcour C. [Image of the month. Coronary stenosis detected by multislice computerized tomography x-ray]. Rev Med Brux. 2001 Oct;22(5):A457-8. French. PubMed PMID: 11723789.