MedKoo Cat#: 130020 | Name: Boditrectinib

Description:

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

Boditrectinib is a tyrosine-kinase inhibitor, specifically inhibiting TRKA, TRKB, and TRKC along with preventing mutations of TRKs that lead to resistance. The fusion of TRKA, TRKB, and TRKC with unrelated gene partners has been shown to lead to increased risk of oncogenic activity. Boditrectinib has potential as an antineoplastic agent with the FDA granting Boditrectinib the Orphan Drug Designation.

Chemical Structure

Boditrectinib
Boditrectinib
CAS#1940165-80-9

Theoretical Analysis

MedKoo Cat#: 130020

Name: Boditrectinib

CAS#: 1940165-80-9

Chemical Formula: C23H24F2N6O

Exact Mass: 438.1980

Molecular Weight: 438.48

Elemental Analysis: C, 63.00; H, 5.52; F, 8.67; N, 19.17; O, 3.65

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
Boditrectinib; AUM601; AUM-601; AUM 601; CHC2014; CHC 2014; CHC-2014
IUPAC/Chemical Name
(2E)-3-{5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl}-1-(piperazin-1-yl)prop-2-en-1-one
InChi Key
BQFYCHBYISNPFW-SQZHUTIHSA-N
InChi Code
InChI=1S/C23H24F2N6O/c24-17-4-5-19(25)18(14-17)20-2-1-10-30(20)21-7-11-31-23(28-21)16(15-27-31)3-6-22(32)29-12-8-26-9-13-29/h3-7,11,14-15,20,26H,1-2,8-10,12-13H2/b6-3+/t20-/m1/s1
SMILES Code
O=C(N1CCNCC1)/C=C/C2=C3N=C(N4[C@@H](C5=CC(F)=CC=C5F)CCC4)C=CN3N=C2
Appearance
To be determined
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 438.48 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. https://aumbiosciences.com/aum601/