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MedKoo Cat#: 464664 | Name: Berotralstat Analog

Description:

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

Berotralstat Analog is a novel inhibitor of plasma kallikrein.

Chemical Structure

Berotralstat Analog
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 464664

Name: Berotralstat Analog

CAS#: unknown

Chemical Formula: C29H27FN6O

Exact Mass: 494.2230

Molecular Weight: 494.57

Elemental Analysis: C, 70.43; H, 5.50; F, 3.84; N, 16.99; O, 3.23

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
Berotralstat Analog; Berotralstat-Analog; Destrifluoromethyl Berotralstat;
IUPAC/Chemical Name
(R)-1-(3-(aminomethyl)phenyl)-N-(5-((3-cyanophenyl)((cyclopropylmethyl)amino)methyl)-2-fluorophenyl)-1H-pyrazole-5-carboxamide
InChi Key
IVDFZDWXPAMWHF-MUUNZHRXSA-N
InChi Code
InChI=1S/C29H27FN6O/c30-25-10-9-23(28(33-18-19-7-8-19)22-5-1-3-20(13-22)16-31)15-26(25)35-29(37)27-11-12-34-36(27)24-6-2-4-21(14-24)17-32/h1-6,9-15,19,28,33H,7-8,17-18,32H2,(H,35,37)/t28-/m1/s1
SMILES Code
NCC1=CC(N2C(C(NC3=CC([C@H](NCC4CC4)C5=CC=CC(C#N)=C5)=CC=C3F)=O)=CC=N2)=CC=C1
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 494.57 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: Wedner HJ, Aygören-Pürsün E, Bernstein J, Craig T, Gower R, Jacobs JS, Johnston DT, Lumry W, Zuraw BL, Best JM, Iocca HA, Murray SC, Desai B, Nagy E, Sheridan WP, Kiani-Alikhan S. Randomized Trial of the Efficacy and Safety of Berotralstat (BCX7353) as an Oral Prophylactic Therapy for Hereditary Angioedema: Results of APeX-2 Through 48 Weeks (Part 2). J Allergy Clin Immunol Pract. 2021 Apr 15:S2213-2198(21)00445-1. doi: 10.1016/j.jaip.2021.03.057. Epub ahead of print. PMID: 33866032. 2: Lee A. Berotralstat: First Approval. Drugs. 2021 Feb;81(3):405-409. doi: 10.1007/s40265-021-01475-4. PMID: 33646555. 3: Ohsawa I, Honda D, Suzuki Y, Fukuda T, Kohga K, Morita E, Moriwaki S, Ishikawa O, Sasaki Y, Tago M, Chittick G, Cornpropst M, Murray SC, Dobo SM, Nagy E, Van Dyke S, Reese L, Best JM, Iocca H, Collis P, Sheridan WP, Hide M. Oral berotralstat for the prophylaxis of hereditary angioedema attacks in patients in Japan: A phase 3 randomized trial. Allergy. 2020 Nov 28. doi: 10.1111/all.14670. Epub ahead of print. PMID: 33247955. 4: Zuraw B, Lumry WR, Johnston DT, Aygören-Pürsün E, Banerji A, Bernstein JA, Christiansen SC, Jacobs JS, Sitz KV, Gower RG, Gagnon R, Wedner HJ, Kinaciyan T, Hakl R, Hanzlíková J, Anderson JT, McNeil DL, Fritz SB, Yang WH, Tachdjian R, Busse PJ, Craig TJ, Li HH, Farkas H, Best JM, Clemons D, Cornpropst M, Dobo SM, Iocca HA, Kargl D, Nagy E, Murray SC, Collis P, Sheridan WP, Maurer M, Riedl MA. Oral once-daily berotralstat for the prevention of hereditary angioedema attacks: A randomized, double-blind, placebo-controlled phase 3 trial. J Allergy Clin Immunol. 2020 Oct 21:S0091-6749(20)31484-6. doi: 10.1016/j.jaci.2020.10.015. Epub ahead of print. PMID: 33098856. 5: Hwang JR, Hwang G, Johri A, Craig T. Oral plasma kallikrein inhibitor BCX7353 for treatment of hereditary angioedema. Immunotherapy. 2019 Dec;11(17):1439-1444. doi: 10.2217/imt-2019-0128. Epub 2019 Oct 22. PMID: 31635497.

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